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

C22H25ClN4O — CID 110616503

IUPACN-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25ClN4O/c23-19-5-3-4-17(14-19)15-25-22(28)27-12-10-26(11-13-27)9-8-18-16-24-21-7-2-1-6-20(18)21/h1-7,14,16,24H,8-13,15H2,(H,25,28)
InChIKeyNXGFQNDMERNSMM-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.89
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 110616503) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID110616503
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25ClN4O/c23-19-5-3-4-17(14-19)15-25-22(28)27-12-10-26(11-13-27)9-8-18-16-24-21-7-2-1-6-20(18)21/h1-7,14,16,24H,8-13,15H2,(H,25,28)
InChIKeyNXGFQNDMERNSMM-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

4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108556
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (CID 110616503) is N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is O=C(NCc1cccc(Cl)c1)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is NXGFQNDMERNSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-19-5-3-4-17(14-19)15-25-22(28)27-12-10-26(11-13-27)9-8-18-16-24-21-7-2-1-6-20(18)21/h1-7,14,16,24H,8-13,15H2,(H,25,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-[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 N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110616503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).