N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide

C21H27N3O — CID 136519757

IUPACN-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C21H27N3O/c1-21(2,18-9-6-12-22-15-18)20(25)23-19-10-13-24(14-11-19)16-17-7-4-3-5-8-17/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,23,25)
InChIKeyJWPASRXPRQBEGT-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.14
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide

N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide (PubChem CID 136519757) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
PubChem CID136519757
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C21H27N3O/c1-21(2,18-9-6-12-22-15-18)20(25)23-19-10-13-24(14-11-19)16-17-7-4-3-5-8-17/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,23,25)
InChIKeyJWPASRXPRQBEGT-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 42866628
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide
CID 68870361
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile
CID 71173513
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide (CID 136519757) is N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide is CC(C)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccnc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide?
The InChIKey is JWPASRXPRQBEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-21(2,18-9-6-12-22-15-18)20(25)23-19-10-13-24(14-11-19)16-17-7-4-3-5-8-17/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide?
N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide has a molecular weight of 337.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide is sourced from PubChem (CID 136519757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).