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

C17H34N4O — CID 119902026

IUPAC3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(CCCCNC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C17H34N4O/c1-2-20-10-12-21(13-11-20)9-4-3-8-19-17(22)15-6-5-7-16(18)14-15/h15-16H,2-14,18H2,1H3,(H,19,22)
InChIKeyYTYUNWUSQDEKRE-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.04
Rot. Bonds7

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

3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide (PubChem CID 119902026) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
PubChem CID119902026
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(CCCCNC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C17H34N4O/c1-2-20-10-12-21(13-11-20)9-4-3-8-19-17(22)15-6-5-7-16(18)14-15/h15-16H,2-14,18H2,1H3,(H,19,22)
InChIKeyYTYUNWUSQDEKRE-UHFFFAOYSA-N
XLogP1.04
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119901784
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide (CID 119902026) is 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide is CCN1CCN(CCCCNC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide?
The InChIKey is YTYUNWUSQDEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-2-20-10-12-21(13-11-20)9-4-3-8-19-17(22)15-6-5-7-16(18)14-15/h15-16H,2-14,18H2,1H3,(H,19,22).
What are the key properties of 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119902026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).