(3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide

C17H25N3O2 — CID 97356248

IUPAC(3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide
SMILESCN(C)CCCNC(=O)[C@]1(c2ccccc2)CCCNC1=O
InChIInChI=1S/C17H25N3O2/c1-20(2)13-7-12-19-16(22)17(10-6-11-18-15(17)21)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,18,21)(H,19,22)/t17-/m0/s1
InChIKeyHOCXPTTWTFMDJB-KRWDZBQOSA-N
MW303.41 g/mol
LogP0.90
Rot. Bonds6

About (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide

(3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide (PubChem CID 97356248) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide
PubChem CID97356248
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide
SMILESCN(C)CCCNC(=O)[C@]1(c2ccccc2)CCCNC1=O
InChIInChI=1S/C17H25N3O2/c1-20(2)13-7-12-19-16(22)17(10-6-11-18-15(17)21)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,18,21)(H,19,22)/t17-/m0/s1
InChIKeyHOCXPTTWTFMDJB-KRWDZBQOSA-N
XLogP0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide (CID 97356248) is (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide is CN(C)CCCNC(=O)[C@]1(c2ccccc2)CCCNC1=O.
What is the InChIKey of (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide?
The InChIKey is HOCXPTTWTFMDJB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-20(2)13-7-12-19-16(22)17(10-6-11-18-15(17)21)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,18,21)(H,19,22)/t17-/m0/s1.
What are the key properties of (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide?
(3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(dimethylamino)propyl]-2-oxo-3-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 97356248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).