(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone

C24H27ClN2O — CID 134787655

IUPAC(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC2(CCCN(CC3CC3)C2)Cc2ccccc21
InChIInChI=1S/C24H27ClN2O/c25-21-10-8-19(9-11-21)23(28)27-17-24(14-20-4-1-2-5-22(20)27)12-3-13-26(16-24)15-18-6-7-18/h1-2,4-5,8-11,18H,3,6-7,12-17H2
InChIKeyOCOPAZZJRQWUIJ-UHFFFAOYSA-N
MW394.95 g/mol
LogP5.04
Rot. Bonds3

About (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone

(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone (PubChem CID 134787655) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
PubChem CID134787655
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC2(CCCN(CC3CC3)C2)Cc2ccccc21
InChIInChI=1S/C24H27ClN2O/c25-21-10-8-19(9-11-21)23(28)27-17-24(14-20-4-1-2-5-22(20)27)12-3-13-26(16-24)15-18-6-7-18/h1-2,4-5,8-11,18H,3,6-7,12-17H2
InChIKeyOCOPAZZJRQWUIJ-UHFFFAOYSA-N
XLogP5.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
CID 134788894
[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
CID 134788181
(4-chlorophenyl)-[1'-(cyclopentylmethyl)spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl]methanone
CID 134789223
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
CID 134788250
4-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-4-oxobutanoic acid
CID 134790474
(4-aminophenyl)-(1'-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-1-yl)methanone
CID 24963547
N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
CID 134787321
1-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]propan-1-one
CID 134789272
N-phenyl-4-(spiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclohexane]-1-carbonyl)benzamide
CID 142106799
[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone
CID 155879187
4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid
CID 134788711
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone (CID 134787655) is (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CC2(CCCN(CC3CC3)C2)Cc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone?
The InChIKey is OCOPAZZJRQWUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c25-21-10-8-19(9-11-21)23(28)27-17-24(14-20-4-1-2-5-22(20)27)12-3-13-26(16-24)15-18-6-7-18/h1-2,4-5,8-11,18H,3,6-7,12-17H2.
What are the key properties of (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone?
(4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone has a molecular weight of 394.95 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone is sourced from PubChem (CID 134787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).