methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride

C14H27ClN2O3 — CID 119344214

IUPACmethyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
SMILESCCC(CC)(CC(=O)OC)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-14(5-2,10-12(17)19-3)16-13(18)11-6-8-15-9-7-11;/h11,15H,4-10H2,1-3H3,(H,16,18);1H
InChIKeyWTELPRYHHAOLEW-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.65
Rot. Bonds6

About methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride

methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride (PubChem CID 119344214) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
PubChem CID119344214
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Namemethyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
SMILESCCC(CC)(CC(=O)OC)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-14(5-2,10-12(17)19-3)16-13(18)11-6-8-15-9-7-11;/h11,15H,4-10H2,1-3H3,(H,16,18);1H
InChIKeyWTELPRYHHAOLEW-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride
CID 119819768
N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 44890741
3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
CID 120532492
N-ethoxypiperidine-4-carboxamide
CID 64974737
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate
CID 124597025
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
CID 119819819
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
methyl 3-piperidin-4-ylbut-3-enoate
CID 117268304
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride
CID 119344210

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride?
The IUPAC name of methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride (CID 119344214) is methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride.
What is the SMILES notation for methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride?
The canonical SMILES for methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride is CCC(CC)(CC(=O)OC)NC(=O)C1CCNCC1.Cl.
What is the InChIKey of methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride?
The InChIKey is WTELPRYHHAOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-4-14(5-2,10-12(17)19-3)16-13(18)11-6-8-15-9-7-11;/h11,15H,4-10H2,1-3H3,(H,16,18);1H.
What are the key properties of methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride?
methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride is sourced from PubChem (CID 119344214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).