(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide

C22H27N3O2 — CID 95094068

IUPAC(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccccc1
InChIInChI=1S/C22H27N3O2/c26-21(23-16-18-8-3-1-4-9-18)14-13-19-10-7-15-25(17-19)22(27)24-20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJZCYYVDABSQKFN-LJQANCHMSA-N
MW365.48 g/mol
LogP4.03
Rot. Bonds6

About (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide

(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 95094068) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
PubChem CID95094068
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccccc1
InChIInChI=1S/C22H27N3O2/c26-21(23-16-18-8-3-1-4-9-18)14-13-19-10-7-15-25(17-19)22(27)24-20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJZCYYVDABSQKFN-LJQANCHMSA-N
XLogP4.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
(3R)-3-[3-[[4-(dimethylamino)phenyl]methylamino]-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093926
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 95094155
(3S)-3-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093916
(3S)-3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094105
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide (CID 95094068) is (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide is O=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccccc1.
What is the InChIKey of (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is JZCYYVDABSQKFN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(23-16-18-8-3-1-4-9-18)14-13-19-10-7-15-25(17-19)22(27)24-20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide?
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95094068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).