(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C16H31N3O — CID 102706745

IUPAC(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CC(N)C(C)CC2C)CCN1C
InChIInChI=1S/C16H31N3O/c1-5-13-10-19(7-6-18(13)4)16(20)14-9-15(17)12(3)8-11(14)2/h11-15H,5-10,17H2,1-4H3
InChIKeySOAGCFCGTLOTGS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.55
Rot. Bonds2

About (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 102706745) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID102706745
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)C2CC(N)C(C)CC2C)CCN1C
InChIInChI=1S/C16H31N3O/c1-5-13-10-19(7-6-18(13)4)16(20)14-9-15(17)12(3)8-11(14)2/h11-15H,5-10,17H2,1-4H3
InChIKeySOAGCFCGTLOTGS-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714365
(5-amino-2,4-dimethylcyclohexyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 102706478
2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 102706729
(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603764
(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 102706777
3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836583
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 102706745) is (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)C2CC(N)C(C)CC2C)CCN1C.
What is the InChIKey of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is SOAGCFCGTLOTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-13-10-19(7-6-18(13)4)16(20)14-9-15(17)12(3)8-11(14)2/h11-15H,5-10,17H2,1-4H3.
What are the key properties of (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 102706745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).