3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

C16H32N4O — CID 79626289

IUPAC3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCN(CC)CC2)C1
InChIInChI=1S/C16H32N4O/c1-3-8-18-16(15(17)21)7-5-6-14(13-16)20-11-9-19(4-2)10-12-20/h14,18H,3-13H2,1-2H3,(H2,17,21)
InChIKeyCYEUMKPSSNWISB-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.79
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79626289) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79626289
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCN(CC)CC2)C1
InChIInChI=1S/C16H32N4O/c1-3-8-18-16(15(17)21)7-5-6-14(13-16)20-11-9-19(4-2)10-12-20/h14,18H,3-13H2,1-2H3,(H2,17,21)
InChIKeyCYEUMKPSSNWISB-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-(1-oxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79642295
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637454
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (CID 79626289) is 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(N2CCN(CC)CC2)C1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is CYEUMKPSSNWISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-8-18-16(15(17)21)7-5-6-14(13-16)20-11-9-19(4-2)10-12-20/h14,18H,3-13H2,1-2H3,(H2,17,21).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79626289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).