N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide

C21H26N2O — CID 42958724

IUPACN-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c24-21(14-13-18-8-3-1-4-9-18)22-20-12-7-15-23(17-20)16-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)
InChIKeyBESWPNHXEWTKLZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.40
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide

N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide (PubChem CID 42958724) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
PubChem CID42958724
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c24-21(14-13-18-8-3-1-4-9-18)22-20-12-7-15-23(17-20)16-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)
InChIKeyBESWPNHXEWTKLZ-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86945147
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide (CID 42958724) is N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide?
The InChIKey is BESWPNHXEWTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(14-13-18-8-3-1-4-9-18)22-20-12-7-15-23(17-20)16-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide?
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 42958724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).