1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one

C25H26ClN3O2 — CID 174598420

IUPAC1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCCn1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C25H26ClN3O2/c1-2-11-28-16-21(20-8-7-18(26)15-23(20)28)25(31)27-12-9-19(10-13-27)29-22-6-4-3-5-17(22)14-24(29)30/h3-8,15-16,19H,2,9-14H2,1H3
InChIKeyUKDLPHUUWANPKU-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.90
Rot. Bonds4

About 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one

1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 174598420) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID174598420
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one
SMILESCCCn1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C25H26ClN3O2/c1-2-11-28-16-21(20-8-7-18(26)15-23(20)28)25(31)27-12-9-19(10-13-27)29-22-6-4-3-5-17(22)14-24(29)30/h3-8,15-16,19H,2,9-14H2,1H3
InChIKeyUKDLPHUUWANPKU-UHFFFAOYSA-N
XLogP4.90
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 24987657
2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid
CID 3701020
[4-(benzotriazol-1-yl)piperidin-1-yl]-[6-chloro-1-[2-(methylamino)ethyl]indol-3-yl]methanone
CID 25001182
1,5-bis[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]-2,4-bis(4-methylpiperazin-1-yl)pentan-3-one
CID 174548474
N-[2-[6-chloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]indol-1-yl]ethyl]ethanesulfonamide
CID 90919643
1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047
[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
ethyl 4-[4-(5-chloro-2-oxo-3H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 56642746
2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetaldehyde;hydrochloride
CID 87470632
[6-chloro-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 11993729
[6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone
CID 174547349
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one (CID 174598420) is 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one is CCCn1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c2ccc(Cl)cc21.
What is the InChIKey of 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is UKDLPHUUWANPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-2-11-28-16-21(20-8-7-18(26)15-23(20)28)25(31)27-12-9-19(10-13-27)29-22-6-4-3-5-17(22)14-24(29)30/h3-8,15-16,19H,2,9-14H2,1H3.
What are the key properties of 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 435.96 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 174598420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).