3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide

C25H31Cl3N4O — CID 78120825

IUPAC3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide
SMILESCC(Nc1cc(N2CCN(C3CCCC(C(N)=O)C3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H31Cl3N4O/c1-16(21-7-5-18(26)14-23(21)28)30-24-15-20(6-8-22(24)27)32-11-9-31(10-12-32)19-4-2-3-17(13-19)25(29)33/h5-8,14-17,19,30H,2-4,9-13H2,1H3,(H2,29,33)
InChIKeyNWNMXRZNAMCYBQ-UHFFFAOYSA-N
MW509.91 g/mol
LogP5.99
Rot. Bonds6

About 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide

3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide (PubChem CID 78120825) has the molecular formula C25H31Cl3N4O and a molecular weight of 509.91 g/mol. Its IUPAC name is 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide
PubChem CID78120825
Molecular FormulaC25H31Cl3N4O
Molecular Weight509.91 g/mol
Exact Mass508.16
IUPAC Name3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide
SMILESCC(Nc1cc(N2CCN(C3CCCC(C(N)=O)C3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H31Cl3N4O/c1-16(21-7-5-18(26)14-23(21)28)30-24-15-20(6-8-22(24)27)32-11-9-31(10-12-32)19-4-2-3-17(13-19)25(29)33/h5-8,14-17,19,30H,2-4,9-13H2,1H3,(H2,29,33)
InChIKeyNWNMXRZNAMCYBQ-UHFFFAOYSA-N
XLogP5.99
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.91
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-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

trans-(1R,3R)-3-[4-[4-chloro-3-[1-(2-chloro-4-methylphenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide
CID 165109769
[3-[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]piperazin-1-yl]cyclohexyl]methanol
CID 86689053
(3S)-3-[(3S)-4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]-3-methylpiperazin-1-yl]cyclohexane-1-carboxylic acid
CID 164795165
2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline
CID 141364021
1-[1-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidine-4-carbonyl]pyrrolidin-3-yl]-1-methylurea
CID 78121032
methyl 1-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 126578858
N-[1-[1-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]piperidine-4-carbonyl]piperidin-4-yl]-N-methylacetamide
CID 71582386
[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 78120910
1-[3-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-4-yl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 126578490
2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-5-(4-pyrrolidin-3-ylpiperidin-1-yl)aniline
CID 78120861
(3R)-3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-1-yl]pyrrolidine-1-carboxamide
CID 134602009
[4-[3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-4-methylsulfonylphenyl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 71581883

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide (CID 78120825) is 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide is CC(Nc1cc(N2CCN(C3CCCC(C(N)=O)C3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is NWNMXRZNAMCYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl3N4O/c1-16(21-7-5-18(26)14-23(21)28)30-24-15-20(6-8-22(24)27)32-11-9-31(10-12-32)19-4-2-3-17(13-19)25(29)33/h5-8,14-17,19,30H,2-4,9-13H2,1H3,(H2,29,33).
What are the key properties of 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide?
3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 509.91 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 78120825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).