N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide

C15H20N4O — CID 63250320

IUPACN-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
SMILESCNCC1CCCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N4O/c1-17-11-14-4-2-3-9-19(14)15(20)18-13-7-5-12(10-16)6-8-13/h5-8,14,17H,2-4,9,11H2,1H3,(H,18,20)
InChIKeyUCOFKMBHIQFTDS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.16
Rot. Bonds3

About N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide

N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide (PubChem CID 63250320) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
PubChem CID63250320
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
SMILESCNCC1CCCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N4O/c1-17-11-14-4-2-3-9-19(14)15(20)18-13-7-5-12(10-16)6-8-13/h5-8,14,17H,2-4,9,11H2,1H3,(H,18,20)
InChIKeyUCOFKMBHIQFTDS-UHFFFAOYSA-N
XLogP2.16
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419
1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107070005
N-(4-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140375
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
(2R)-N-(4-cyanophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343526
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818290
4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzonitrile
CID 83704659

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide (CID 63250320) is N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide is CNCC1CCCCN1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
The InChIKey is UCOFKMBHIQFTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17-11-14-4-2-3-9-19(14)15(20)18-13-7-5-12(10-16)6-8-13/h5-8,14,17H,2-4,9,11H2,1H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide is sourced from PubChem (CID 63250320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).