1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea

C19H22N4O2 — CID 56929155

IUPAC1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N4O2/c24-18(23-11-2-1-3-12-23)16-6-8-17(9-7-16)22-19(25)21-14-15-5-4-10-20-13-15/h4-10,13H,1-3,11-12,14H2,(H2,21,22,25)
InChIKeySYHLGCFQRQWJGW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 56929155) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID56929155
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N4O2/c24-18(23-11-2-1-3-12-23)16-6-8-17(9-7-16)22-19(25)21-14-15-5-4-10-20-13-15/h4-10,13H,1-3,11-12,14H2,(H2,21,22,25)
InChIKeySYHLGCFQRQWJGW-UHFFFAOYSA-N
XLogP3.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Daporinad
CID 6914657
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Niaprazine
CID 71919
4-Aminobenzamidopyridine
CID 81976
N-(4-pyridyl)benzamide
CID 78893
C3A receptor agonist
CID 44430519
4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 676069
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
3-Methyl-n-(1-oxy-3',4',5',6'-tetrahydro-2'h-(2,4'-bipyridine)-1'-ylmethyl)benzamide
CID 16094676
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
N-(6-Oxo-1,6-Dihydro-3,4'-Bipyridin-5-Yl)-4-(Piperidin-1-Yl)benzamide
CID 52936434
N-{5-[2-(Methylamino)pyrimidin-4-Yl]-2-Oxo-1,2-Dihydropyridin-3-Yl}-4-(Piperidin-1-Yl)benzamide
CID 52936531

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea (CID 56929155) is 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is SYHLGCFQRQWJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(23-11-2-1-3-12-23)16-6-8-17(9-7-16)22-19(25)21-14-15-5-4-10-20-13-15/h4-10,13H,1-3,11-12,14H2,(H2,21,22,25).
What are the key properties of 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 338.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidine-1-carbonyl)phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 56929155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).