3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide

C20H27N3O2 — CID 167959767

IUPAC3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2Cc3ccccc3C3(CCCC3)C2)C1
InChIInChI=1S/C20H27N3O2/c21-19(25)22-11-5-7-16(13-22)18(24)23-12-15-6-1-2-8-17(15)20(14-23)9-3-4-10-20/h1-2,6,8,16H,3-5,7,9-14H2,(H2,21,25)
InChIKeyGXBFTJCHGHFHFK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.63
Rot. Bonds1

About 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide

3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide (PubChem CID 167959767) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide
PubChem CID167959767
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2Cc3ccccc3C3(CCCC3)C2)C1
InChIInChI=1S/C20H27N3O2/c21-19(25)22-11-5-7-16(13-22)18(24)23-12-15-6-1-2-8-17(15)20(14-23)9-3-4-10-20/h1-2,6,8,16H,3-5,7,9-14H2,(H2,21,25)
InChIKeyGXBFTJCHGHFHFK-UHFFFAOYSA-N
XLogP2.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540
3-(2-azaspiro[4.5]decane-2-carbonyl)piperidine-1-carboxamide
CID 71929504
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97123681
3-[2-(cyclopropanecarbonyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid;hydrochloride
CID 140559257
(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
CID 166417503
2-chloro-1-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylethanone
CID 166408836
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987

Frequently Asked Questions

What is the IUPAC name of 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide (CID 167959767) is 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide is NC(=O)N1CCCC(C(=O)N2Cc3ccccc3C3(CCCC3)C2)C1.
What is the InChIKey of 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is GXBFTJCHGHFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c21-19(25)22-11-5-7-16(13-22)18(24)23-12-15-6-1-2-8-17(15)20(14-23)9-3-4-10-20/h1-2,6,8,16H,3-5,7,9-14H2,(H2,21,25).
What are the key properties of 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide?
3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 167959767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).