3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide

C24H30N2O2 — CID 108951179

IUPAC3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
SMILESO=C(CC(=O)N1CCC(Cc2ccccc2)CC1)NCCCc1ccccc1
InChIInChI=1S/C24H30N2O2/c27-23(25-15-7-12-20-8-3-1-4-9-20)19-24(28)26-16-13-22(14-17-26)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,25,27)
InChIKeyAZBBLJYWECQRQE-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.61
Rot. Bonds8

About 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide

3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide (PubChem CID 108951179) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
PubChem CID108951179
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
SMILESO=C(CC(=O)N1CCC(Cc2ccccc2)CC1)NCCCc1ccccc1
InChIInChI=1S/C24H30N2O2/c27-23(25-15-7-12-20-8-3-1-4-9-20)19-24(28)26-16-13-22(14-17-26)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,25,27)
InChIKeyAZBBLJYWECQRQE-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone
CID 55466903
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide (CID 108951179) is 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide is O=C(CC(=O)N1CCC(Cc2ccccc2)CC1)NCCCc1ccccc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide?
The InChIKey is AZBBLJYWECQRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(25-15-7-12-20-8-3-1-4-9-20)19-24(28)26-16-13-22(14-17-26)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,25,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide?
3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 3.61, 8 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)-3-oxo-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 108951179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).