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

C15H28N4O — CID 79641560

IUPAC3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C15H28N4O/c1-17-15(14(16)20)6-2-3-13(11-15)19-9-7-18(8-10-19)12-4-5-12/h12-13,17H,2-11H2,1H3,(H2,16,20)
InChIKeyDFNKDCYQIGPZJO-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.15
Rot. Bonds4

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

3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79641560) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79641560
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C15H28N4O/c1-17-15(14(16)20)6-2-3-13(11-15)19-9-7-18(8-10-19)12-4-5-12/h12-13,17H,2-11H2,1H3,(H2,16,20)
InChIKeyDFNKDCYQIGPZJO-UHFFFAOYSA-N
XLogP0.15
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636383
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 103538200
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
1-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79636971
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79636962
1-(methylamino)-3-(1-oxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 79641414
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (CID 79641560) is 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is DFNKDCYQIGPZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-17-15(14(16)20)6-2-3-13(11-15)19-9-7-18(8-10-19)12-4-5-12/h12-13,17H,2-11H2,1H3,(H2,16,20).
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 0.15, 4 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-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79641560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).