methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate

C14H24N2O3 — CID 894690

IUPACmethyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-19-13(17)11-7-9-16(10-8-11)14(18)15-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyNMJGYZHLUKUUIX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds2

About methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate

methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate (PubChem CID 894690) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
PubChem CID894690
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-19-13(17)11-7-9-16(10-8-11)14(18)15-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyNMJGYZHLUKUUIX-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptylpiperidine-1-carboxamide
CID 54054704
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 113003723

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate (CID 894690) is methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is NMJGYZHLUKUUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-19-13(17)11-7-9-16(10-8-11)14(18)15-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate?
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 894690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).