1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea

C22H29N3O4 — CID 55819679

IUPAC1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2cccc(COCc3ccco3)c2)CC1
InChIInChI=1S/C22H29N3O4/c1-16(2)21(26)25-10-8-18(9-11-25)23-22(27)24-19-6-3-5-17(13-19)14-28-15-20-7-4-12-29-20/h3-7,12-13,16,18H,8-11,14-15H2,1-2H3,(H2,23,24,27)
InChIKeyQPVZCUAQGGSELF-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.76
Rot. Bonds7

About 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea (PubChem CID 55819679) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
PubChem CID55819679
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2cccc(COCc3ccco3)c2)CC1
InChIInChI=1S/C22H29N3O4/c1-16(2)21(26)25-10-8-18(9-11-25)23-22(27)24-19-6-3-5-17(13-19)14-28-15-20-7-4-12-29-20/h3-7,12-13,16,18H,8-11,14-15H2,1-2H3,(H2,23,24,27)
InChIKeyQPVZCUAQGGSELF-UHFFFAOYSA-N
XLogP3.76
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
2-(cyclopropanecarbonyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 102563648
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55820320
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754666
2-cyclohexyloxy-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 87006772
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221
N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea (CID 55819679) is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea is CC(C)C(=O)N1CCC(NC(=O)Nc2cccc(COCc3ccco3)c2)CC1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The InChIKey is QPVZCUAQGGSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16(2)21(26)25-10-8-18(9-11-25)23-22(27)24-19-6-3-5-17(13-19)14-28-15-20-7-4-12-29-20/h3-7,12-13,16,18H,8-11,14-15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea has a molecular weight of 399.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 55819679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).