(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide

C24H29N3O2 — CID 97128394

IUPAC(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1
InChIInChI=1S/C24H29N3O2/c25-23(29)26-15-7-9-19(17-26)22(28)27-16-8-14-24(18-27,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,19H,7-9,14-18H2,(H2,25,29)/t19-/m0/s1
InChIKeyKLZARMFGTHLDET-IBGZPJMESA-N
MW391.51 g/mol
LogP3.39
Rot. Bonds3

About (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide

(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 97128394) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
PubChem CID97128394
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1
InChIInChI=1S/C24H29N3O2/c25-23(29)26-15-7-9-19(17-26)22(28)27-16-8-14-24(18-27,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,19H,7-9,14-18H2,(H2,25,29)/t19-/m0/s1
InChIKeyKLZARMFGTHLDET-IBGZPJMESA-N
XLogP3.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97123681
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
3-(2-azaspiro[4.5]decane-2-carbonyl)piperidine-1-carboxamide
CID 71929504
3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide
CID 167959767
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144541
(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
CID 97134489
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide (CID 97128394) is (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide is NC(=O)N1CCC[C@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1.
What is the InChIKey of (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is KLZARMFGTHLDET-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O2/c25-23(29)26-15-7-9-19(17-26)22(28)27-16-8-14-24(18-27,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,19H,7-9,14-18H2,(H2,25,29)/t19-/m0/s1.
What are the key properties of (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 97128394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).