methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate

C16H28N2O3 — CID 108566198

IUPACmethyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-21-16(20)17-14-9-11-18(12-10-14)15(19)8-7-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeySVMAIMHUQPDHOL-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.69
Rot. Bonds4

About methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate

methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate (PubChem CID 108566198) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
PubChem CID108566198
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-21-16(20)17-14-9-11-18(12-10-14)15(19)8-7-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeySVMAIMHUQPDHOL-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
CID 108566205
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
3-cyclohexyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 108555732
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173
methyl N-cyclohexadecylcarbamate
CID 131977131

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate (CID 108566198) is methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate?
The InChIKey is SVMAIMHUQPDHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-21-16(20)17-14-9-11-18(12-10-14)15(19)8-7-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,20).
What are the key properties of methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate?
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108566198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).