(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone

C24H29N3O — CID 90004163

IUPAC(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
SMILESO=C(C1CNC[C@]12CNCc1ccccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c28-23(27-12-10-19(11-13-27)18-6-2-1-3-7-18)22-15-26-17-24(22)16-25-14-20-8-4-5-9-21(20)24/h1-9,19,22,25-26H,10-17H2/t22?,24-/m0/s1
InChIKeyVQLZOJGCTIZIBG-GITCGBDTSA-N
MW375.52 g/mol
LogP2.65
Rot. Bonds2

About (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone

(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone (PubChem CID 90004163) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
PubChem CID90004163
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
SMILESO=C(C1CNC[C@]12CNCc1ccccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c28-23(27-12-10-19(11-13-27)18-6-2-1-3-7-18)22-15-26-17-24(22)16-25-14-20-8-4-5-9-21(20)24/h1-9,19,22,25-26H,10-17H2/t22?,24-/m0/s1
InChIKeyVQLZOJGCTIZIBG-GITCGBDTSA-N
XLogP2.65
TPSA44.37 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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone
CID 76819633
[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone
CID 76820018
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(4S)-8-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
CID 58549677
[(3'S,5S)-2-methylspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 46891931
[(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
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5S)-2-methoxyspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]methanone
CID 58548951
[(2S,4R)-2-(4,4-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,5S)-2-methylspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]methanone trichloride
CID 46893205
(2-cyclohexyl-4-phenylpiperidin-1-yl)-(2,7-dimethylspiro[1,3-dihydroisoquinoline-4,4'-pyrrolidine]-3'-yl)methanone
CID 76819578
[(2S,4R)-4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]-[(3'S,6S)-spiro[8,9-dihydro-7H-[1,3]dioxolo[4,5-h]isoquinoline-6,4'-pyrrolidine]-3'-yl]methanone dichloride
CID 46892064
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone?
The IUPAC name of (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone (CID 90004163) is (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone.
What is the SMILES notation for (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone?
The canonical SMILES for (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone is O=C(C1CNC[C@]12CNCc1ccccc12)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone?
The InChIKey is VQLZOJGCTIZIBG-GITCGBDTSA-N. The full InChI is InChI=1S/C24H29N3O/c28-23(27-12-10-19(11-13-27)18-6-2-1-3-7-18)22-15-26-17-24(22)16-25-14-20-8-4-5-9-21(20)24/h1-9,19,22,25-26H,10-17H2/t22?,24-/m0/s1.
What are the key properties of (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone?
(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone has a molecular weight of 375.52 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone is sourced from PubChem (CID 90004163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).