(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

C15H29N3O — CID 55218094

IUPAC(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCC(C)C(N)C2)CC1C
InChIInChI=1S/C15H29N3O/c1-4-17-7-8-18(10-12(17)3)15(19)13-6-5-11(2)14(16)9-13/h11-14H,4-10,16H2,1-3H3
InChIKeyXUPNANNEWRWJKE-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds2

About (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 55218094) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID55218094
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCC(C)C(N)C2)CC1C
InChIInChI=1S/C15H29N3O/c1-4-17-7-8-18(10-12(17)3)15(19)13-6-5-11(2)14(16)9-13/h11-14H,4-10,16H2,1-3H3
InChIKeyXUPNANNEWRWJKE-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
CID 62780914
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
(3-amino-4-methylcyclohexyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674274
(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 119880090
(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62782120
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125816
(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 63620867
(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901147
(3-amino-4-methylcyclohexyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79937039
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
CID 63633519

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 55218094) is (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCC(C)C(N)C2)CC1C.
What is the InChIKey of (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is XUPNANNEWRWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-17-7-8-18(10-12(17)3)15(19)13-6-5-11(2)14(16)9-13/h11-14H,4-10,16H2,1-3H3.
What are the key properties of (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 55218094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).