3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide

C23H35Cl2N5O2 — CID 75011620

IUPAC3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide
SMILESNCCC(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CN)CCCCC2)CC1
InChIInChI=1S/C23H35Cl2N5O2/c24-18-5-4-17(19(25)15-18)14-20(28-21(31)6-9-26)22(32)29-10-12-30(13-11-29)23(16-27)7-2-1-3-8-23/h4-5,15,20H,1-3,6-14,16,26-27H2,(H,28,31)
InChIKeyBSIBTRDYFYLVNT-UHFFFAOYSA-N
MW484.47 g/mol
LogP2.18
Rot. Bonds8

About 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide

3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide (PubChem CID 75011620) has the molecular formula C23H35Cl2N5O2 and a molecular weight of 484.47 g/mol. Its IUPAC name is 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide
PubChem CID75011620
Molecular FormulaC23H35Cl2N5O2
Molecular Weight484.47 g/mol
Exact Mass483.22
IUPAC Name3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide
SMILESNCCC(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CN)CCCCC2)CC1
InChIInChI=1S/C23H35Cl2N5O2/c24-18-5-4-17(19(25)15-18)14-20(28-21(31)6-9-26)22(32)29-10-12-30(13-11-29)23(16-27)7-2-1-3-8-23/h4-5,15,20H,1-3,6-14,16,26-27H2,(H,28,31)
InChIKeyBSIBTRDYFYLVNT-UHFFFAOYSA-N
XLogP2.18
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide 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

3-amino-N-[1-[4-[1-[(benzylamino)methyl]cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide;N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]butanamide;propan-2-one
CID 159459350
3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxybutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]propanamide
CID 44562497
3-amino-N-[3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-[[(2-phenylacetyl)amino]methyl]cyclohexyl]piperazin-1-yl]propan-2-yl]propanamide
CID 70028724
3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-[1-hydroxy-2-(2-methoxyphenyl)ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]propanamide
CID 44562538
1-(3,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 46893094
N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 75229363
N-[1-[4-[1-[(N-acetylanilino)methyl]cyclohexyl]piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-phenylpropanamide
CID 70028577
N-[1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 146256797
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide
CID 44562440
N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 153279919
1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 69237539
3-(4-chlorophenyl)-2-methyl-1-[4-[1-[(2-methylpropylamino)methyl]cyclohexyl]piperazin-1-yl]propan-1-one
CID 142918343

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide?
The IUPAC name of 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide (CID 75011620) is 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide is NCCC(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CN)CCCCC2)CC1.
What is the InChIKey of 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide?
The InChIKey is BSIBTRDYFYLVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35Cl2N5O2/c24-18-5-4-17(19(25)15-18)14-20(28-21(31)6-9-26)22(32)29-10-12-30(13-11-29)23(16-27)7-2-1-3-8-23/h4-5,15,20H,1-3,6-14,16,26-27H2,(H,28,31).
What are the key properties of 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide?
3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide has a molecular weight of 484.47 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-[1-(aminomethyl)cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 75011620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).