1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide

C20H30N4O2 — CID 119899053

IUPAC1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)C3(N)CCCCC3)c2)CC1
InChIInChI=1S/C20H30N4O2/c1-23-10-12-24(13-11-23)18(25)15-16-6-5-7-17(14-16)22-19(26)20(21)8-3-2-4-9-20/h5-7,14H,2-4,8-13,15,21H2,1H3,(H,22,26)
InChIKeyHXIVLIDGNPPXLG-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.60
Rot. Bonds4

About 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide

1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 119899053) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
PubChem CID119899053
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)C3(N)CCCCC3)c2)CC1
InChIInChI=1S/C20H30N4O2/c1-23-10-12-24(13-11-23)18(25)15-16-6-5-7-17(14-16)22-19(26)20(21)8-3-2-4-9-20/h5-7,14H,2-4,8-13,15,21H2,1H3,(H,22,26)
InChIKeyHXIVLIDGNPPXLG-UHFFFAOYSA-N
XLogP1.60
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]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

1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 71865914
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
methyl 2-[[3-[(1-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318856
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide (CID 119899053) is 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide is CN1CCN(C(=O)Cc2cccc(NC(=O)C3(N)CCCCC3)c2)CC1.
What is the InChIKey of 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is HXIVLIDGNPPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-23-10-12-24(13-11-23)18(25)15-16-6-5-7-17(14-16)22-19(26)20(21)8-3-2-4-9-20/h5-7,14H,2-4,8-13,15,21H2,1H3,(H,22,26).
What are the key properties of 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119899053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).