N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide

C20H23ClN4O2 — CID 74237755

IUPACN-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCNC(=O)CN1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-22-19(26)14-24-8-10-25(11-9-24)20(27)23-18-7-3-5-16(13-18)15-4-2-6-17(21)12-15/h2-7,12-13H,8-11,14H2,1H3,(H,22,26)(H,23,27)
InChIKeyIAQHMOLESYVZRD-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.90
Rot. Bonds4

About N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide

N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 74237755) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID74237755
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCNC(=O)CN1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-22-19(26)14-24-8-10-25(11-9-24)20(27)23-18-7-3-5-16(13-18)15-4-2-6-17(21)12-15/h2-7,12-13H,8-11,14H2,1H3,(H,22,26)(H,23,27)
InChIKeyIAQHMOLESYVZRD-UHFFFAOYSA-N
XLogP2.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(4-chloro-3-nitrophenyl)-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 71857133
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
CID 119053055
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide
CID 118779122
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110409809
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40605320
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 34905366
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide (CID 74237755) is N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide is CNC(=O)CN1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is IAQHMOLESYVZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-22-19(26)14-24-8-10-25(11-9-24)20(27)23-18-7-3-5-16(13-18)15-4-2-6-17(21)12-15/h2-7,12-13H,8-11,14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 74237755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).