(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide

C19H25N3O — CID 95281203

IUPAC(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1(C#N)CCC1
InChIInChI=1S/C19H25N3O/c1-21(19(15-20)10-6-11-19)18(23)17-9-5-12-22(14-17)13-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14H2,1H3/t17-/m0/s1
InChIKeyVKJQZZLGMXAHNO-KRWDZBQOSA-N
MW311.43 g/mol
LogP2.80
Rot. Bonds4

About (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide

(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide (PubChem CID 95281203) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide
PubChem CID95281203
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1(C#N)CCC1
InChIInChI=1S/C19H25N3O/c1-21(19(15-20)10-6-11-19)18(23)17-9-5-12-22(14-17)13-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14H2,1H3/t17-/m0/s1
InChIKeyVKJQZZLGMXAHNO-KRWDZBQOSA-N
XLogP2.80
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylpiperidine-3-carbonyl chloride
CID 22006205
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616
N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
CID 54088114
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
CID 136512107
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide (CID 95281203) is (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide is CN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1(C#N)CCC1.
What is the InChIKey of (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is VKJQZZLGMXAHNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21(19(15-20)10-6-11-19)18(23)17-9-5-12-22(14-17)13-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide?
(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95281203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).