4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide

C24H30N2O3 — CID 109045307

IUPAC4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-17-5-14-25-23(27)21-8-10-22(11-9-21)24(28)26-15-12-20(13-16-26)18-19-6-3-2-4-7-19/h2-4,6-11,20H,5,12-18H2,1H3,(H,25,27)
InChIKeyAIDPULJXBJPBDS-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.55
Rot. Bonds8

About 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide

4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide (PubChem CID 109045307) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
PubChem CID109045307
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-17-5-14-25-23(27)21-8-10-22(11-9-21)24(28)26-15-12-20(13-16-26)18-19-6-3-2-4-7-19/h2-4,6-11,20H,5,12-18H2,1H3,(H,25,27)
InChIKeyAIDPULJXBJPBDS-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.55
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

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045275
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184262
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227890
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
3-benzyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725147
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide (CID 109045307) is 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is AIDPULJXBJPBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-29-17-5-14-25-23(27)21-8-10-22(11-9-21)24(28)26-15-12-20(13-16-26)18-19-6-3-2-4-7-19/h2-4,6-11,20H,5,12-18H2,1H3,(H,25,27).
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide?
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 109045307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).