1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea

C18H25N5O — CID 133392231

IUPAC1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
SMILESN#Cc1cccc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H25N5O/c19-13-16-7-4-8-17(20-16)23-11-9-15(10-12-23)22-18(24)21-14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-12H2,(H2,21,22,24)
InChIKeyZJZUQAOUSAYYJI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.55
Rot. Bonds3

About 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea

1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea (PubChem CID 133392231) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
PubChem CID133392231
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
SMILESN#Cc1cccc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H25N5O/c19-13-16-7-4-8-17(20-16)23-11-9-15(10-12-23)22-18(24)21-14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-12H2,(H2,21,22,24)
InChIKeyZJZUQAOUSAYYJI-UHFFFAOYSA-N
XLogP2.55
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357560
1-(6-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345350
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074389
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
methyl (3S,4R)-1-(6-cyano-2-pyridinyl)-3-methylpiperidine-4-carboxylate
CID 125138637
5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054893
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
6-[4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72838338
6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72855974
6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133304422

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea?
The IUPAC name of 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea (CID 133392231) is 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea is N#Cc1cccc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea?
The InChIKey is ZJZUQAOUSAYYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-13-16-7-4-8-17(20-16)23-11-9-15(10-12-23)22-18(24)21-14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-12H2,(H2,21,22,24).
What are the key properties of 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea?
1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea has a molecular weight of 327.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea is sourced from PubChem (CID 133392231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).