N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C26H28ClN3O2 — CID 39972306

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-23-7-3-1-5-19(23)21(22-15-28-24-8-4-2-6-20(22)24)16-29-25(31)17-11-13-30(14-12-17)26(32)18-9-10-18/h1-8,15,17-18,21,28H,9-14,16H2,(H,29,31)/t21-/m0/s1
InChIKeyJSCLZSJWAYPBQP-NRFANRHFSA-N
MW449.98 g/mol
LogP4.72
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 39972306) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID39972306
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-23-7-3-1-5-19(23)21(22-15-28-24-8-4-2-6-20(22)24)16-29-25(31)17-11-13-30(14-12-17)26(32)18-9-10-18/h1-8,15,17-18,21,28H,9-14,16H2,(H,29,31)/t21-/m0/s1
InChIKeyJSCLZSJWAYPBQP-NRFANRHFSA-N
XLogP4.72
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 9425344
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 112812774
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998716
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 112807819
trans-(1R,2R)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-nitrocyclopropane-1-carboxamide
CID 98681469
3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 47080821
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9425337
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 39972306) is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is JSCLZSJWAYPBQP-NRFANRHFSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-23-7-3-1-5-19(23)21(22-15-28-24-8-4-2-6-20(22)24)16-29-25(31)17-11-13-30(14-12-17)26(32)18-9-10-18/h1-8,15,17-18,21,28H,9-14,16H2,(H,29,31)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39972306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).