(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone

C23H24Cl2N2O — CID 23959121

IUPAC(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone
SMILESCc1ccc2c(c1)C1(CCN(C3CC3)CC1)CN2C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H24Cl2N2O/c1-15-2-5-21-20(10-15)23(6-8-26(9-7-23)19-3-4-19)14-27(21)22(28)16-11-17(24)13-18(25)12-16/h2,5,10-13,19H,3-4,6-9,14H2,1H3
InChIKeyLUEVQCBFZUTQQE-UHFFFAOYSA-N
MW415.36 g/mol
LogP5.46
Rot. Bonds2

About (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone

(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone (PubChem CID 23959121) has the molecular formula C23H24Cl2N2O and a molecular weight of 415.36 g/mol. Its IUPAC name is (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone
PubChem CID23959121
Molecular FormulaC23H24Cl2N2O
Molecular Weight415.36 g/mol
Exact Mass414.13
IUPAC Name(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone
SMILESCc1ccc2c(c1)C1(CCN(C3CC3)CC1)CN2C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H24Cl2N2O/c1-15-2-5-21-20(10-15)23(6-8-26(9-7-23)19-3-4-19)14-27(21)22(28)16-11-17(24)13-18(25)12-16/h2,5,10-13,19H,3-4,6-9,14H2,1H3
InChIKeyLUEVQCBFZUTQQE-UHFFFAOYSA-N
XLogP5.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone
CID 59004130
1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23877217
cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433761
propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433053
furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 89379555
ethyl 4-(1-acetyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)-1λ3-iodinane-1-carboxylate
CID 88892239
[(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59614166
(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
CID 23764734
(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23827326
ethyl 4-[5-fluoro-1-(4-methoxybenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11518875
1'-cyclopropyl-5-fluoro-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23994922

Frequently Asked Questions

What is the IUPAC name of (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone?
The IUPAC name of (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone (CID 23959121) is (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone?
The canonical SMILES for (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone is Cc1ccc2c(c1)C1(CCN(C3CC3)CC1)CN2C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone?
The InChIKey is LUEVQCBFZUTQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O/c1-15-2-5-21-20(10-15)23(6-8-26(9-7-23)19-3-4-19)14-27(21)22(28)16-11-17(24)13-18(25)12-16/h2,5,10-13,19H,3-4,6-9,14H2,1H3.
What are the key properties of (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone?
(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone has a molecular weight of 415.36 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 23959121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).