ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate

C14H24N2O3 — CID 60730732

IUPACethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)6-5-13(17)15-11-7-9-16(10-8-11)12-3-4-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyCJRWECSBXPDNCF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds6

About ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate

ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate (PubChem CID 60730732) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
PubChem CID60730732
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)6-5-13(17)15-11-7-9-16(10-8-11)12-3-4-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyCJRWECSBXPDNCF-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
N-(1-cyclopropylpiperidin-4-yl)-2-ethoxyacetamide
CID 60730874
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108563869
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
4-amino-N-(1-cyclopropylpiperidin-4-yl)butanamide
CID 43711759
[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamic acid
CID 66741641
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
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 43424767
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
CID 103484200

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate (CID 60730732) is ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate?
The InChIKey is CJRWECSBXPDNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-14(18)6-5-13(17)15-11-7-9-16(10-8-11)12-3-4-12/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate?
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate has a molecular weight of 268.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 60730732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).