1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide

C22H31N3O — CID 60584154

IUPAC1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C22H31N3O/c1-18-9-5-8-14-25(18)16-20-11-4-3-10-19(20)15-24-21(26)22(17-23)12-6-2-7-13-22/h3-4,10-11,18H,2,5-9,12-16H2,1H3,(H,24,26)
InChIKeyVGQNTZROWFPBOP-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.15
Rot. Bonds5

About 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide

1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 60584154) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID60584154
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C22H31N3O/c1-18-9-5-8-14-25(18)16-20-11-4-3-10-19(20)15-24-21(26)22(17-23)12-6-2-7-13-22/h3-4,10-11,18H,2,5-9,12-16H2,1H3,(H,24,26)
InChIKeyVGQNTZROWFPBOP-UHFFFAOYSA-N
XLogP4.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092356
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
N,N-dimethyl-4-[[[N'-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111873874

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide (CID 60584154) is 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide is CC1CCCCN1Cc1ccccc1CNC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is VGQNTZROWFPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-18-9-5-8-14-25(18)16-20-11-4-3-10-19(20)15-24-21(26)22(17-23)12-6-2-7-13-22/h3-4,10-11,18H,2,5-9,12-16H2,1H3,(H,24,26).
What are the key properties of 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60584154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).