ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate

C16H28N2O3 — CID 64550431

IUPACethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(N)CCCC(C)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-21-14(19)13-6-9-18(10-7-13)15(20)16(17)8-4-5-12(2)11-16/h12-13H,3-11,17H2,1-2H3
InChIKeyKPVKMZJZSDDONE-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.70
Rot. Bonds3

About ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate

ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate (PubChem CID 64550431) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
PubChem CID64550431
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(N)CCCC(C)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-21-14(19)13-6-9-18(10-7-13)15(20)16(17)8-4-5-12(2)11-16/h12-13H,3-11,17H2,1-2H3
InChIKeyKPVKMZJZSDDONE-UHFFFAOYSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 113312720
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
CID 64555062
2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64552519
(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone
CID 104689695
methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate
CID 64551881
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate (CID 64550431) is ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(N)CCCC(C)C2)CC1.
What is the InChIKey of ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate?
The InChIKey is KPVKMZJZSDDONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-21-14(19)13-6-9-18(10-7-13)15(20)16(17)8-4-5-12(2)11-16/h12-13H,3-11,17H2,1-2H3.
What are the key properties of ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate?
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 64550431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).