1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea

C18H20N4O2 — CID 95151252

IUPAC1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N4O2/c23-17(14-7-2-1-3-8-14)22-12-6-9-15(13-22)20-18(24)21-16-10-4-5-11-19-16/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,19,20,21,24)/t15-/m0/s1
InChIKeyBYVLUQXCNSDQBL-HNNXBMFYSA-N
MW324.38 g/mol
LogP2.51
Rot. Bonds3

About 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea

1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea (PubChem CID 95151252) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
PubChem CID95151252
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N4O2/c23-17(14-7-2-1-3-8-14)22-12-6-9-15(13-22)20-18(24)21-16-10-4-5-11-19-16/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,19,20,21,24)/t15-/m0/s1
InChIKeyBYVLUQXCNSDQBL-HNNXBMFYSA-N
XLogP2.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
N-(1-benzoylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785318
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 95906190
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
CID 125166283

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea (CID 95151252) is 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N[C@H]1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea?
The InChIKey is BYVLUQXCNSDQBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(14-7-2-1-3-8-14)22-12-6-9-15(13-22)20-18(24)21-16-10-4-5-11-19-16/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,19,20,21,24)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea?
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea has a molecular weight of 324.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 95151252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).