4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

C22H25ClN4O — CID 113107720

IUPAC4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN4O/c23-20-7-3-1-5-18(20)16-26-11-13-27(14-12-26)22(28)24-10-9-17-15-25-21-8-4-2-6-19(17)21/h1-8,15,25H,9-14,16H2,(H,24,28)
InChIKeyZYTYIAFFOFMXPR-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.89
Rot. Bonds5

About 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 113107720) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID113107720
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN4O/c23-20-7-3-1-5-18(20)16-26-11-13-27(14-12-26)22(28)24-10-9-17-15-25-21-8-4-2-6-19(17)21/h1-8,15,25H,9-14,16H2,(H,24,28)
InChIKeyZYTYIAFFOFMXPR-UHFFFAOYSA-N
XLogP3.89
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
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4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119065686
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (CID 113107720) is 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is ZYTYIAFFOFMXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-20-7-3-1-5-18(20)16-26-11-13-27(14-12-26)22(28)24-10-9-17-15-25-21-8-4-2-6-19(17)21/h1-8,15,25H,9-14,16H2,(H,24,28).
What are the key properties of 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).