ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate

C14H26N2O3 — CID 60669009

IUPACethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)6-5-13(17)15-12-7-9-16(10-8-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyKAFYVQXXOABVSI-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds6

About ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate

ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate (PubChem CID 60669009) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
PubChem CID60669009
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)6-5-13(17)15-12-7-9-16(10-8-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyKAFYVQXXOABVSI-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108563869
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
ethyl 4-oxo-4-[[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]amino]butanoate
CID 108564420
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate (CID 60669009) is ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate is CCOC(=O)CCC(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate?
The InChIKey is KAFYVQXXOABVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-19-14(18)6-5-13(17)15-12-7-9-16(10-8-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate?
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate is sourced from PubChem (CID 60669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).