3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide

C16H30N4O — CID 79628200

IUPAC3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C16H30N4O/c1-2-18-16(15(17)21)7-3-4-14(12-16)20-10-8-19(9-11-20)13-5-6-13/h13-14,18H,2-12H2,1H3,(H2,17,21)
InChIKeyOYTQECFTORQFEJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.54
Rot. Bonds5

About 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide

3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide (PubChem CID 79628200) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
PubChem CID79628200
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C16H30N4O/c1-2-18-16(15(17)21)7-3-4-14(12-16)20-10-8-19(9-11-20)13-5-6-13/h13-14,18H,2-12H2,1H3,(H2,17,21)
InChIKeyOYTQECFTORQFEJ-UHFFFAOYSA-N
XLogP0.54
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641984
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentane-1-carboxamide
CID 79644633
1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide
CID 79645390
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
1-(ethylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79637046
1-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79651425
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide (CID 79628200) is 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The InChIKey is OYTQECFTORQFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-2-18-16(15(17)21)7-3-4-14(12-16)20-10-8-19(9-11-20)13-5-6-13/h13-14,18H,2-12H2,1H3,(H2,17,21).
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79628200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).