N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide

C20H21ClN4O — CID 113111006

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H21ClN4O/c21-18-5-1-3-16(13-18)7-8-23-20(26)25-11-9-24(10-12-25)19-6-2-4-17(14-19)15-22/h1-6,13-14H,7-12H2,(H,23,26)
InChIKeyCHKRMKYCFFXAKY-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide

N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide (PubChem CID 113111006) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide
PubChem CID113111006
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H21ClN4O/c21-18-5-1-3-16(13-18)7-8-23-20(26)25-11-9-24(10-12-25)19-6-2-4-17(14-19)15-22/h1-6,13-14H,7-12H2,(H,23,26)
InChIKeyCHKRMKYCFFXAKY-UHFFFAOYSA-N
XLogP3.29
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113111009
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide (CID 113111006) is N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide is N#Cc1cccc(N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is CHKRMKYCFFXAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-18-5-1-3-16(13-18)7-8-23-20(26)25-11-9-24(10-12-25)19-6-2-4-17(14-19)15-22/h1-6,13-14H,7-12H2,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).