1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide

C19H25N3O2 — CID 165431625

IUPAC1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESN#Cc1ccc(CN2CCCC(C(=O)NC3CCOCC3)C2)cc1
InChIInChI=1S/C19H25N3O2/c20-12-15-3-5-16(6-4-15)13-22-9-1-2-17(14-22)19(23)21-18-7-10-24-11-8-18/h3-6,17-18H,1-2,7-11,13-14H2,(H,21,23)
InChIKeyFUUGMFUTLWZBLF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.07
Rot. Bonds4

About 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide

1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 165431625) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID165431625
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESN#Cc1ccc(CN2CCCC(C(=O)NC3CCOCC3)C2)cc1
InChIInChI=1S/C19H25N3O2/c20-12-15-3-5-16(6-4-15)13-22-9-1-2-17(14-22)19(23)21-18-7-10-24-11-8-18/h3-6,17-18H,1-2,7-11,13-14H2,(H,21,23)
InChIKeyFUUGMFUTLWZBLF-UHFFFAOYSA-N
XLogP2.07
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 53289357
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
N-[(4S)-9-[(4-cyanophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897002
1-[(4-cyanophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 55149332
4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95194116
N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 166604577
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide (CID 165431625) is 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide is N#Cc1ccc(CN2CCCC(C(=O)NC3CCOCC3)C2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is FUUGMFUTLWZBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c20-12-15-3-5-16(6-4-15)13-22-9-1-2-17(14-22)19(23)21-18-7-10-24-11-8-18/h3-6,17-18H,1-2,7-11,13-14H2,(H,21,23).
What are the key properties of 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 165431625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).