(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

C24H30N2O2 — CID 94010780

IUPAC(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)c1
InChIInChI=1S/C24H30N2O2/c1-18-14-19(2)16-22(15-18)24(28)26-13-7-11-21(17-26)23(27)25-12-6-10-20-8-4-3-5-9-20/h3-5,8-9,14-16,21H,6-7,10-13,17H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyRMZWNVJISNXPHO-OAQYLSRUSA-N
MW378.52 g/mol
LogP3.90
Rot. Bonds6

About (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 94010780) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID94010780
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)c1
InChIInChI=1S/C24H30N2O2/c1-18-14-19(2)16-22(15-18)24(28)26-13-7-11-21(17-26)23(27)25-12-6-10-20-8-4-3-5-9-20/h3-5,8-9,14-16,21H,6-7,10-13,17H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyRMZWNVJISNXPHO-OAQYLSRUSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 55823393
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 60559969
1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119391295
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 94010780) is (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)c1.
What is the InChIKey of (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is RMZWNVJISNXPHO-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-14-19(2)16-22(15-18)24(28)26-13-7-11-21(17-26)23(27)25-12-6-10-20-8-4-3-5-9-20/h3-5,8-9,14-16,21H,6-7,10-13,17H2,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 94010780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).