2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one

C32H34ClN3O2 — CID 118725338

IUPAC2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN(C)CCC1CCN(C(=O)c2cccc(N3C(=O)C4(CC4c4ccc(Cl)cc4)c4ccccc43)c2)CC1
InChIInChI=1S/C32H34ClN3O2/c1-34(2)17-14-22-15-18-35(19-16-22)30(37)24-6-5-7-26(20-24)36-29-9-4-3-8-27(29)32(31(36)38)21-28(32)23-10-12-25(33)13-11-23/h3-13,20,22,28H,14-19,21H2,1-2H3
InChIKeyLHAICUAARRZQFU-UHFFFAOYSA-N
MW528.10 g/mol
LogP6.25
Rot. Bonds6

About 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one

2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 118725338) has the molecular formula C32H34ClN3O2 and a molecular weight of 528.10 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID118725338
Molecular FormulaC32H34ClN3O2
Molecular Weight528.10 g/mol
Exact Mass527.23
IUPAC Name2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN(C)CCC1CCN(C(=O)c2cccc(N3C(=O)C4(CC4c4ccc(Cl)cc4)c4ccccc43)c2)CC1
InChIInChI=1S/C32H34ClN3O2/c1-34(2)17-14-22-15-18-35(19-16-22)30(37)24-6-5-7-26(20-24)36-29-9-4-3-8-27(29)32(31(36)38)21-28(32)23-10-12-25(33)13-11-23/h3-13,20,22,28H,14-19,21H2,1-2H3
InChIKeyLHAICUAARRZQFU-UHFFFAOYSA-N
XLogP6.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.10
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one 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

STING agonist-12
CID 137367538
[3-(3,4-dichlorophenyl)-3-[3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]piperidin-1-yl]-phenylmethanone
CID 10258592
N-(3-{1-[4-(4-chlorophenyl)-4-oxobutyl]-4-piperidinyl}phenyl)-cyclohexanecarboxamide
CID 16756519
N-(3-{1-[4-(4-chlorophenyl)-4-oxobutyl]-4-piperidinyl}phenyl)-2-phenylacetamide
CID 16756520
1-{2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}benzo[cd]indol-2(1H)-one
CID 2198258
7-[4-(5-Chloro-2-methylphenyl)piperazine-1-carbonyl]-2-propyl-2,3-dihydro-1H-isoindol-1-one
CID 5309255
(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 10051324
1-(3-{[3-(4-Chloro-2-methylbenzoyl)-1-piperidinyl]carbonyl}phenyl)-2-pyrrolidinone
CID 24794074
(3Z)-3-benzylidene-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 44273821
(3E)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 44273890
(3E)-3-benzylidene-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 44274078
(3E)-1-benzyl-3-[(4-chlorophenyl)-phenylmethylidene]indol-2-one
CID 73356509

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one (CID 118725338) is 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one is CN(C)CCC1CCN(C(=O)c2cccc(N3C(=O)C4(CC4c4ccc(Cl)cc4)c4ccccc43)c2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is LHAICUAARRZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN3O2/c1-34(2)17-14-22-15-18-35(19-16-22)30(37)24-6-5-7-26(20-24)36-29-9-4-3-8-27(29)32(31(36)38)21-28(32)23-10-12-25(33)13-11-23/h3-13,20,22,28H,14-19,21H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 528.10 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1'-[3-[4-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]phenyl]spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 118725338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).