N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide

C20H21ClN4O — CID 110397485

IUPACN-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN4O/c21-16-5-7-17(8-6-16)23-20(26)25-11-9-24(10-12-25)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22H,9-12,14H2,(H,23,26)
InChIKeyLRYUHGBHCSABPX-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.17
Rot. Bonds3

About N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 110397485) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID110397485
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN4O/c21-16-5-7-17(8-6-16)23-20(26)25-11-9-24(10-12-25)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22H,9-12,14H2,(H,23,26)
InChIKeyLRYUHGBHCSABPX-UHFFFAOYSA-N
XLogP4.17
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide
CID 147390716
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
benzyl 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide (CID 110397485) is N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LRYUHGBHCSABPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-16-5-7-17(8-6-16)23-20(26)25-11-9-24(10-12-25)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22H,9-12,14H2,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 110397485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).