(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C24H26ClN3O2 — CID 9425344

IUPAC(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H26ClN3O2/c1-16(29)28-12-6-7-17(15-28)24(30)27-14-20(18-8-2-4-10-22(18)25)21-13-26-23-11-5-3-9-19(21)23/h2-5,8-11,13,17,20,26H,6-7,12,14-15H2,1H3,(H,27,30)/t17-,20+/m0/s1
InChIKeySCBKTMGYEUKKIO-FXAWDEMLSA-N
MW423.94 g/mol
LogP4.33
Rot. Bonds5

About (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 9425344) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID9425344
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H26ClN3O2/c1-16(29)28-12-6-7-17(15-28)24(30)27-14-20(18-8-2-4-10-22(18)25)21-13-26-23-11-5-3-9-19(21)23/h2-5,8-11,13,17,20,26H,6-7,12,14-15H2,1H3,(H,27,30)/t17-,20+/m0/s1
InChIKeySCBKTMGYEUKKIO-FXAWDEMLSA-N
XLogP4.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 39972306
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998716
3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 47080821
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088811
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 112812774
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 112807819
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
trans-(1R,2R)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-nitrocyclopropane-1-carboxamide
CID 98681469

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 9425344) is (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is SCBKTMGYEUKKIO-FXAWDEMLSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16(29)28-12-6-7-17(15-28)24(30)27-14-20(18-8-2-4-10-22(18)25)21-13-26-23-11-5-3-9-19(21)23/h2-5,8-11,13,17,20,26H,6-7,12,14-15H2,1H3,(H,27,30)/t17-,20+/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9425344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).