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

C15H30N4O — CID 119901784

IUPAC3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C15H30N4O/c1-2-18-8-10-19(11-9-18)7-6-17-15(20)13-4-3-5-14(16)12-13/h13-14H,2-12,16H2,1H3,(H,17,20)
InChIKeyMAIRCOTVBWDEPI-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.26
Rot. Bonds5

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

3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119901784) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119901784
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C15H30N4O/c1-2-18-8-10-19(11-9-18)7-6-17-15(20)13-4-3-5-14(16)12-13/h13-14H,2-12,16H2,1H3,(H,17,20)
InChIKeyMAIRCOTVBWDEPI-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119786008
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868891
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide (CID 119901784) is 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide is CCN1CCN(CCNC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is MAIRCOTVBWDEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-2-18-8-10-19(11-9-18)7-6-17-15(20)13-4-3-5-14(16)12-13/h13-14H,2-12,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119901784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).