1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea

C85H107BrN12O12 — CID 159753941

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea
SMILESC=C(C)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(CC(=O)OCC)cc2)CC1.C=C(C)N1CCC(N(Cc2ccco2)C(=O)Nc2ccccc2CC)CC1.CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(Br)cc2)CC1.CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C24H31N3O4.C22H29N3O2.C20H25N3O3.C19H22BrN3O3/c1-4-30-23(28)16-19-7-9-20(10-8-19)25-24(29)27(17-22-6-5-15-31-22)21-11-13-26(14-12-21)18(2)3;1-4-18-8-5-6-10-21(18)23-22(26)25(16-20-9-7-15-27-20)19-11-13-24(14-12-19)17(2)3;1-15-5-3-6-17(13-15)21-20(25)23(14-19-7-4-12-26-19)18-8-10-22(11-9-18)16(2)24;1-14(24)22-10-8-17(9-11-22)23(13-18-3-2-12-26-18)19(25)21-16-6-4-15(20)5-7-16/h5-10,15,21H,2,4,11-14,16-17H2,1,3H3,(H,25,29);5-10,15,19H,2,4,11-14,16H2,1,3H3,(H,23,26);3-7,12-13,18H,8-11,14H2,1-2H3,(H,21,25);2-7,12,17H,8-11,13H2,1H3,(H,21,25)
InChIKeyNDZVOIVQOVLKSS-UHFFFAOYSA-N
MW1568.77 g/mol
LogP17.01
Rot. Bonds22

About 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea

1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea (PubChem CID 159753941) has the molecular formula C85H107BrN12O12 and a molecular weight of 1568.77 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea
PubChem CID159753941
Molecular FormulaC85H107BrN12O12
Molecular Weight1568.77 g/mol
Exact Mass1566.73
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea
SMILESC=C(C)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(CC(=O)OCC)cc2)CC1.C=C(C)N1CCC(N(Cc2ccco2)C(=O)Nc2ccccc2CC)CC1.CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(Br)cc2)CC1.CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C24H31N3O4.C22H29N3O2.C20H25N3O3.C19H22BrN3O3/c1-4-30-23(28)16-19-7-9-20(10-8-19)25-24(29)27(17-22-6-5-15-31-22)21-11-13-26(14-12-21)18(2)3;1-4-18-8-5-6-10-21(18)23-22(26)25(16-20-9-7-15-27-20)19-11-13-24(14-12-19)17(2)3;1-15-5-3-6-17(13-15)21-20(25)23(14-19-7-4-12-26-19)18-8-10-22(11-9-18)16(2)24;1-14(24)22-10-8-17(9-11-22)23(13-18-3-2-12-26-18)19(25)21-16-6-4-15(20)5-7-16/h5-10,15,21H,2,4,11-14,16-17H2,1,3H3,(H,25,29);5-10,15,19H,2,4,11-14,16H2,1,3H3,(H,23,26);3-7,12-13,18H,8-11,14H2,1-2H3,(H,21,25);2-7,12,17H,8-11,13H2,1H3,(H,21,25)
InChIKeyNDZVOIVQOVLKSS-UHFFFAOYSA-N
XLogP17.01
TPSA255.32 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001568.77
LogP ≤ 517.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908002
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CID 20908019
1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 20908059
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 42702157
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
CID 71801534
methyl 4-[[4-[(3-fluorophenyl)carbamoyl-(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 24732237
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
2-(4-acetamidophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)acetamide
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3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1058435

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea (CID 159753941) is 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea is C=C(C)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(CC(=O)OCC)cc2)CC1.C=C(C)N1CCC(N(Cc2ccco2)C(=O)Nc2ccccc2CC)CC1.CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2ccc(Br)cc2)CC1.CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea?
The InChIKey is NDZVOIVQOVLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4.C22H29N3O2.C20H25N3O3.C19H22BrN3O3/c1-4-30-23(28)16-19-7-9-20(10-8-19)25-24(29)27(17-22-6-5-15-31-22)21-11-13-26(14-12-21)18(2)3;1-4-18-8-5-6-10-21(18)23-22(26)25(16-20-9-7-15-27-20)19-11-13-24(14-12-19)17(2)3;1-15-5-3-6-17(13-15)21-20(25)23(14-19-7-4-12-26-19)18-8-10-22(11-9-18)16(2)24;1-14(24)22-10-8-17(9-11-22)23(13-18-3-2-12-26-18)19(25)21-16-6-4-15(20)5-7-16/h5-10,15,21H,2,4,11-14,16-17H2,1,3H3,(H,25,29);5-10,15,19H,2,4,11-14,16H2,1,3H3,(H,23,26);3-7,12-13,18H,8-11,14H2,1-2H3,(H,21,25);2-7,12,17H,8-11,13H2,1H3,(H,21,25).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea has a molecular weight of 1568.77 g/mol, XLogP of 17.01, 22 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)urea;1-(1-acetylpiperidin-4-yl)-1-(furan-2-ylmethyl)-3-(3-methylphenyl)urea;ethyl 2-[4-[[furan-2-ylmethyl-(1-prop-1-en-2-ylpiperidin-4-yl)carbamoyl]amino]phenyl]acetate;3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-prop-1-en-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 159753941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).