1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide

C17H34N4O — CID 119902544

IUPAC1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C17H34N4O/c1-3-20-9-11-21(12-10-20)14-15(2)13-19-16(22)17(18)7-5-4-6-8-17/h15H,3-14,18H2,1-2H3,(H,19,22)
InChIKeyHRZBZVMXBVLPDD-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.04
Rot. Bonds6

About 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide

1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide (PubChem CID 119902544) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
PubChem CID119902544
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C17H34N4O/c1-3-20-9-11-21(12-10-20)14-15(2)13-19-16(22)17(18)7-5-4-6-8-17/h15H,3-14,18H2,1-2H3,(H,19,22)
InChIKeyHRZBZVMXBVLPDD-UHFFFAOYSA-N
XLogP1.04
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111446390
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115294865
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
CID 96520406
5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 82688208
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 80591028
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
1-cycloheptyl-3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylurea
CID 95967578
1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80591203
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide (CID 119902544) is 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide is CCN1CCN(CC(C)CNC(=O)C2(N)CCCCC2)CC1.
What is the InChIKey of 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide?
The InChIKey is HRZBZVMXBVLPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-3-20-9-11-21(12-10-20)14-15(2)13-19-16(22)17(18)7-5-4-6-8-17/h15H,3-14,18H2,1-2H3,(H,19,22).
What are the key properties of 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119902544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).