methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate

C17H22N2O5 — CID 110819826

IUPACmethyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C17H22N2O5/c1-23-16(21)8-7-15(20)19-11-9-13(10-12-19)18-17(22)24-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,22)
InChIKeyGHJUYOGEGSTXRP-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.72
Rot. Bonds5

About methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate

methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate (PubChem CID 110819826) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
PubChem CID110819826
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C17H22N2O5/c1-23-16(21)8-7-15(20)19-11-9-13(10-12-19)18-17(22)24-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,22)
InChIKeyGHJUYOGEGSTXRP-UHFFFAOYSA-N
XLogP1.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 110819831
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
CID 110822461
phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565830
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
phenyl N-cyclopentylcarbamate
CID 12791466
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate?
The IUPAC name of methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate (CID 110819826) is methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate?
The canonical SMILES for methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate is COC(=O)CCC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1.
What is the InChIKey of methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate?
The InChIKey is GHJUYOGEGSTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-16(21)8-7-15(20)19-11-9-13(10-12-19)18-17(22)24-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,22).
What are the key properties of methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate?
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate has a molecular weight of 334.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate is sourced from PubChem (CID 110819826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).