prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate

C14H22N2O4 — CID 108567125

IUPACprop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C14H22N2O4/c1-3-10-20-14(19)15-12-6-8-16(9-7-12)13(18)5-4-11(2)17/h3,12H,1,4-10H2,2H3,(H,15,19)
InChIKeyDNAJAKDWDDWSEI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.26
Rot. Bonds6

About prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate

prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate (PubChem CID 108567125) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
PubChem CID108567125
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameprop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C14H22N2O4/c1-3-10-20-14(19)15-12-6-8-16(9-7-12)13(18)5-4-11(2)17/h3,12H,1,4-10H2,2H3,(H,15,19)
InChIKeyDNAJAKDWDDWSEI-UHFFFAOYSA-N
XLogP1.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566504
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564964
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564991
prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564007
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
CID 108566004
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate (CID 108567125) is prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)CCC(C)=O)CC1.
What is the InChIKey of prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
The InChIKey is DNAJAKDWDDWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-10-20-14(19)15-12-6-8-16(9-7-12)13(18)5-4-11(2)17/h3,12H,1,4-10H2,2H3,(H,15,19).
What are the key properties of prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate?
prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108567125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).