1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide

C19H20N4O2 — CID 17468210

IUPAC1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NOCc3ccccc3)CC2)nc1
InChIInChI=1S/C19H20N4O2/c20-12-16-6-7-18(21-13-16)23-10-8-17(9-11-23)19(24)22-25-14-15-4-2-1-3-5-15/h1-7,13,17H,8-11,14H2,(H,22,24)
InChIKeyUXDSUJRDLJTPER-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.42
Rot. Bonds5

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

1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide (PubChem CID 17468210) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
PubChem CID17468210
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NOCc3ccccc3)CC2)nc1
InChIInChI=1S/C19H20N4O2/c20-12-16-6-7-18(21-13-16)23-10-8-17(9-11-23)19(24)22-25-14-15-4-2-1-3-5-15/h1-7,13,17H,8-11,14H2,(H,22,24)
InChIKeyUXDSUJRDLJTPER-UHFFFAOYSA-N
XLogP2.42
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
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-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 46685091
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
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
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide (CID 17468210) is 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NOCc3ccccc3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide?
The InChIKey is UXDSUJRDLJTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-12-16-6-7-18(21-13-16)23-10-8-17(9-11-23)19(24)22-25-14-15-4-2-1-3-5-15/h1-7,13,17H,8-11,14H2,(H,22,24).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.42, 5 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-phenylmethoxypiperidine-4-carboxamide is sourced from PubChem (CID 17468210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).