(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone

C24H29N3O — CID 76819633

IUPAC(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESNc1ccc2c(c1)CCC21CNCC1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c25-20-6-7-21-19(14-20)8-11-24(21)16-26-15-22(24)23(28)27-12-9-18(10-13-27)17-4-2-1-3-5-17/h1-7,14,18,22,26H,8-13,15-16,25H2
InChIKeyXPESGUBKNAXWLU-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.08
Rot. Bonds2

About (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone

(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 76819633) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID76819633
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESNc1ccc2c(c1)CCC21CNCC1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c25-20-6-7-21-19(14-20)8-11-24(21)16-26-15-22(24)23(28)27-12-9-18(10-13-27)17-4-2-1-3-5-17/h1-7,14,18,22,26H,8-13,15-16,25H2
InChIKeyXPESGUBKNAXWLU-UHFFFAOYSA-N
XLogP3.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone
CID 76820018
(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
CID 90004163
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
[(3'S,8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone
CID 58549231
(2-cyclohexyl-4-phenylpiperidin-1-yl)-(2,7-dimethylspiro[1,3-dihydroisoquinoline-4,4'-pyrrolidine]-3'-yl)methanone
CID 76819578
(5R)-4'-[(2S,4R)-2-cyclohexyl-4-phenylpiperidine-1-carbonyl]-2-methoxyspiro[6,7-dihydroquinolin-1-ium-5,3'-pyrrolidine]-8-one
CID 123965764
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methoxyspiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]methanone
CID 123875864
[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-2-phenylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone
CID 58549032
5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine
CID 67867198
(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone
CID 76543529
[(3S,3'S)-6-bromospiro[2H-1-benzofuran-3,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone
CID 68788645
N-[(5R)-2-chloro-4'-[(2S,4R)-2-cyclohexyl-4-phenylpiperidine-1-carbonyl]spiro[7,8-dihydro-6H-quinoline-5,3'-pyrrolidine]-8-yl]acetamide
CID 58549530

Frequently Asked Questions

What is the IUPAC name of (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone (CID 76819633) is (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone is Nc1ccc2c(c1)CCC21CNCC1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is XPESGUBKNAXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c25-20-6-7-21-19(14-20)8-11-24(21)16-26-15-22(24)23(28)27-12-9-18(10-13-27)17-4-2-1-3-5-17/h1-7,14,18,22,26H,8-13,15-16,25H2.
What are the key properties of (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone?
(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 375.52 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 76819633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).