N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide

C19H27N3O — CID 173154239

IUPACN-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide
SMILESCC(C)CCN1CCCCC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C19H27N3O/c1-15(2)10-12-22-11-4-3-5-18(22)19(23)21-14-17-8-6-16(13-20)7-9-17/h6-9,15,18H,3-5,10-12,14H2,1-2H3,(H,21,23)
InChIKeyIQFXXQQUAIKKHL-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.08
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide

N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide (PubChem CID 173154239) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide
PubChem CID173154239
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide
SMILESCC(C)CCN1CCCCC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C19H27N3O/c1-15(2)10-12-22-11-4-3-5-18(22)19(23)21-14-17-8-6-16(13-20)7-9-17/h6-9,15,18H,3-5,10-12,14H2,1-2H3,(H,21,23)
InChIKeyIQFXXQQUAIKKHL-UHFFFAOYSA-N
XLogP3.08
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 173154633
tert-butyl (2S)-2-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 54165357
4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46483680
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
N-[(4-cyanophenyl)methyl]thiane-2-carboxamide
CID 80593548
(2S)-N-[(4-cyanophenyl)methyl]-1-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]pyrrolidine-2-carboxamide
CID 141284747
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 173204088
N-[(4-cyanophenyl)methyl]-1-(2-hydroxy-3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 22476149
(2S)-1-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 57257451
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
tert-butyl (3R)-3-[(4-cyanophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 94044438

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide (CID 173154239) is N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide is CC(C)CCN1CCCCC1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide?
The InChIKey is IQFXXQQUAIKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(2)10-12-22-11-4-3-5-18(22)19(23)21-14-17-8-6-16(13-20)7-9-17/h6-9,15,18H,3-5,10-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide?
N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 173154239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).