1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea

C21H27N3O3 — CID 20908002

IUPAC1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea
SMILESCC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H27N3O3/c1-15-11-16(2)13-18(12-15)22-21(26)24(14-20-5-4-10-27-20)19-6-8-23(9-7-19)17(3)25/h4-5,10-13,19H,6-9,14H2,1-3H3,(H,22,26)
InChIKeyORXVBPKJGISULD-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.94
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea

1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea (PubChem CID 20908002) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea
PubChem CID20908002
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea
SMILESCC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H27N3O3/c1-15-11-16(2)13-18(12-15)22-21(26)24(14-20-5-4-10-27-20)19-6-8-23(9-7-19)17(3)25/h4-5,10-13,19H,6-9,14H2,1-3H3,(H,22,26)
InChIKeyORXVBPKJGISULD-UHFFFAOYSA-N
XLogP3.94
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908019
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
CID 71801534
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
1-cyclopentyl-1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51105727
1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea
CID 71895896
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908125
methyl 4-[[4-[(3-fluorophenyl)carbamoyl-(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 24732237
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
1-benzyl-3-(3,5-dimethylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711695
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730796

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea (CID 20908002) is 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea is CC(=O)N1CCC(N(Cc2ccco2)C(=O)Nc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea?
The InChIKey is ORXVBPKJGISULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-11-16(2)13-18(12-15)22-21(26)24(14-20-5-4-10-27-20)19-6-8-23(9-7-19)17(3)25/h4-5,10-13,19H,6-9,14H2,1-3H3,(H,22,26).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea has a molecular weight of 369.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 20908002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).