3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide

C23H28N2O — CID 42850889

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O/c26-23(24-22-9-10-22)21-8-4-7-20(16-21)17-25-13-11-19(12-14-25)15-18-5-2-1-3-6-18/h1-8,16,19,22H,9-15,17H2,(H,24,26)
InChIKeyJASNMRKTNVSHMA-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.03
Rot. Bonds6

About 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide

3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide (PubChem CID 42850889) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
PubChem CID42850889
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O/c26-23(24-22-9-10-22)21-8-4-7-20(16-21)17-25-13-11-19(12-14-25)15-18-5-2-1-3-6-18/h1-8,16,19,22H,9-15,17H2,(H,24,26)
InChIKeyJASNMRKTNVSHMA-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25448460
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctylbenzamide
CID 38102818
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide (CID 42850889) is 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide?
The InChIKey is JASNMRKTNVSHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23(24-22-9-10-22)21-8-4-7-20(16-21)17-25-13-11-19(12-14-25)15-18-5-2-1-3-6-18/h1-8,16,19,22H,9-15,17H2,(H,24,26).
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide?
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide has a molecular weight of 348.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 42850889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).