[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C20H34N2O4 — CID 46812470

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC1CCC(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H34N2O4/c1-14-5-7-16(8-6-14)21-17(23)13-26-18(24)15-9-11-22(12-10-15)19(25)20(2,3)4/h14-16H,5-13H2,1-4H3,(H,21,23)
InChIKeyXOMXCMPPJQVPLG-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.51
Rot. Bonds4

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 46812470) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID46812470
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC1CCC(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H34N2O4/c1-14-5-7-16(8-6-14)21-17(23)13-26-18(24)15-9-11-22(12-10-15)19(25)20(2,3)4/h14-16H,5-13H2,1-4H3,(H,21,23)
InChIKeyXOMXCMPPJQVPLG-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 46812470) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is CC1CCC(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is XOMXCMPPJQVPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-14-5-7-16(8-6-14)21-17(23)13-26-18(24)15-9-11-22(12-10-15)19(25)20(2,3)4/h14-16H,5-13H2,1-4H3,(H,21,23).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 366.50 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 46812470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).