(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one

C22H25N3O2 — CID 97134489

IUPAC(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)N1
InChIInChI=1S/C22H25N3O2/c26-20-15-23-14-19(24-20)21(27)25-13-7-12-22(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,23H,7,12-16H2,(H,24,26)/t19-/m0/s1
InChIKeyXBWFSWCKJSKMKI-IBGZPJMESA-N
MW363.46 g/mol
LogP1.68
Rot. Bonds3

About (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one

(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one (PubChem CID 97134489) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
PubChem CID97134489
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)N1
InChIInChI=1S/C22H25N3O2/c26-20-15-23-14-19(24-20)21(27)25-13-7-12-22(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,23H,7,12-16H2,(H,24,26)/t19-/m0/s1
InChIKeyXBWFSWCKJSKMKI-IBGZPJMESA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 154900068
6-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]piperazin-2-one
CID 70784302
(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 97270691
(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119325537
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779
6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]piperazin-2-one
CID 70743927

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one (CID 97134489) is (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one is O=C1CNC[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)N1.
What is the InChIKey of (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one?
The InChIKey is XBWFSWCKJSKMKI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20-15-23-14-19(24-20)21(27)25-13-7-12-22(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,23H,7,12-16H2,(H,24,26)/t19-/m0/s1.
What are the key properties of (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one?
(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one has a molecular weight of 363.46 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 97134489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).