N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide

C23H30N2O2 — CID 17176524

IUPACN-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O2/c1-2-3-16-27-22-11-7-10-20(17-22)23(26)24-21-12-14-25(15-13-21)18-19-8-5-4-6-9-19/h4-11,17,21H,2-3,12-16,18H2,1H3,(H,24,26)
InChIKeyFODOXPITZYDAOV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.26
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide

N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide (PubChem CID 17176524) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
PubChem CID17176524
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O2/c1-2-3-16-27-22-11-7-10-20(17-22)23(26)24-21-12-14-25(15-13-21)18-19-8-5-4-6-9-19/h4-11,17,21H,2-3,12-16,18H2,1H3,(H,24,26)
InChIKeyFODOXPITZYDAOV-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
N-(1-benzylpiperidin-4-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24541999
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954774
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide (CID 17176524) is N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide is CCCCOc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide?
The InChIKey is FODOXPITZYDAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-16-27-22-11-7-10-20(17-22)23(26)24-21-12-14-25(15-13-21)18-19-8-5-4-6-9-19/h4-11,17,21H,2-3,12-16,18H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide?
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.26, 8 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)-3-butoxybenzamide is sourced from PubChem (CID 17176524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).