ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate

C15H27N3O3 — CID 107877740

IUPACethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC(C)CC(N)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-21-15(20)18-6-4-17(5-7-18)14(19)12-8-11(2)9-13(16)10-12/h11-13H,3-10,16H2,1-2H3
InChIKeyFEXQWDWFZGBQDD-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.05
Rot. Bonds2

About ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate

ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate (PubChem CID 107877740) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
PubChem CID107877740
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC(C)CC(N)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-21-15(20)18-6-4-17(5-7-18)14(19)12-8-11(2)9-13(16)10-12/h11-13H,3-10,16H2,1-2H3
InChIKeyFEXQWDWFZGBQDD-UHFFFAOYSA-N
XLogP1.05
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
CID 94459894
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-[1-(3-methylbutanoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 113005128

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate (CID 107877740) is ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC(C)CC(N)C2)CC1.
What is the InChIKey of ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate?
The InChIKey is FEXQWDWFZGBQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-21-15(20)18-6-4-17(5-7-18)14(19)12-8-11(2)9-13(16)10-12/h11-13H,3-10,16H2,1-2H3.
What are the key properties of ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate?
ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 107877740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).