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

C12H20N2O4 — CID 108567119

IUPACmethyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C12H20N2O4/c1-9(15)3-4-11(16)14-7-5-10(6-8-14)13-12(17)18-2/h10H,3-8H2,1-2H3,(H,13,17)
InChIKeyIMQLIGXEFGGKBK-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.70
Rot. Bonds4

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

methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate (PubChem CID 108567119) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
PubChem CID108567119
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C12H20N2O4/c1-9(15)3-4-11(16)14-7-5-10(6-8-14)13-12(17)18-2/h10H,3-8H2,1-2H3,(H,13,17)
InChIKeyIMQLIGXEFGGKBK-UHFFFAOYSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567125
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
CID 110819826
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
CID 113402198

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate (CID 108567119) is methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)CCC(C)=O)CC1.
What is the InChIKey of methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
The InChIKey is IMQLIGXEFGGKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(15)3-4-11(16)14-7-5-10(6-8-14)13-12(17)18-2/h10H,3-8H2,1-2H3,(H,13,17).
What are the key properties of methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate has a molecular weight of 256.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108567119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).