ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate

C17H29N3O4 — CID 31696793

IUPACethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CCC(=O)NC(=O)NC2CCCC2)C1
InChIInChI=1S/C17H29N3O4/c1-2-24-16(22)13-6-5-10-20(12-13)11-9-15(21)19-17(23)18-14-7-3-4-8-14/h13-14H,2-12H2,1H3,(H2,18,19,21,23)/t13-/m0/s1
InChIKeyVRHNOCHCSRHWDC-ZDUSSCGKSA-N
MW339.44 g/mol
LogP1.42
Rot. Bonds6

About ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate

ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate (PubChem CID 31696793) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate
PubChem CID31696793
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CCC(=O)NC(=O)NC2CCCC2)C1
InChIInChI=1S/C17H29N3O4/c1-2-24-16(22)13-6-5-10-20(12-13)11-9-15(21)19-17(23)18-14-7-3-4-8-14/h13-14H,2-12H2,1H3,(H2,18,19,21,23)/t13-/m0/s1
InChIKeyVRHNOCHCSRHWDC-ZDUSSCGKSA-N
XLogP1.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (3R)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-3-carboxylate
CID 40032010
ethyl (3S)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
CID 40032015
Diethyl 4-acetamidopiperidine-1,3-dicarboxylate
CID 435431
Ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
CID 47104651
Methyl 2-[[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]methyl]-4-methylpentanoate
CID 56807095
Ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate
CID 43404892
Ethyl 1-(ethylcarbamoyl)piperidine-3-carboxylate
CID 43404896
(R)-Ethyl 1-ethylcarbamoylpiperidine-3-carboxylate
CID 53841393
CID 59981879
CID 59981879
ethyl (3R)-1-(cyclopentylcarbamoyl)piperidine-3-carboxylate
CID 81329492
Ethyl 1-(methylcarbamoyl)piperidine-3-carboxylate
CID 115279268
ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate
CID 138480045

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate (CID 31696793) is ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CCC(=O)NC(=O)NC2CCCC2)C1.
What is the InChIKey of ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate?
The InChIKey is VRHNOCHCSRHWDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-2-24-16(22)13-6-5-10-20(12-13)11-9-15(21)19-17(23)18-14-7-3-4-8-14/h13-14H,2-12H2,1H3,(H2,18,19,21,23)/t13-/m0/s1.
What are the key properties of ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate?
ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate is sourced from PubChem (CID 31696793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).