1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide

C20H22N4O2 — CID 16597727

IUPAC1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCCOc3ccccc3)CC2)nc1
InChIInChI=1S/C20H22N4O2/c21-14-16-6-7-19(23-15-16)24-11-8-17(9-12-24)20(25)22-10-13-26-18-4-2-1-3-5-18/h1-7,15,17H,8-13H2,(H,22,25)
InChIKeyGBBULVAXSILPOB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.36
Rot. Bonds6

About 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 16597727) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID16597727
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCCOc3ccccc3)CC2)nc1
InChIInChI=1S/C20H22N4O2/c21-14-16-6-7-19(23-15-16)24-11-8-17(9-12-24)20(25)22-10-13-26-18-4-2-1-3-5-18/h1-7,15,17H,8-13H2,(H,22,25)
InChIKeyGBBULVAXSILPOB-UHFFFAOYSA-N
XLogP2.36
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974
1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46434350
2-[3-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]ethylcarbamic acid
CID 146484137
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide (CID 16597727) is 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NCCOc3ccccc3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is GBBULVAXSILPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-14-16-6-7-19(23-15-16)24-11-8-17(9-12-24)20(25)22-10-13-26-18-4-2-1-3-5-18/h1-7,15,17H,8-13H2,(H,22,25).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16597727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).