ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate

C15H26N2O3 — CID 62027607

IUPACethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCC(C)C1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-3-20-15(19)11-17(13-6-7-13)10-14(18)16-8-4-5-12(2)9-16/h12-13H,3-11H2,1-2H3
InChIKeyWVLBVVWXGZHGJH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.27
Rot. Bonds6

About ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate (PubChem CID 62027607) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
PubChem CID62027607
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCC(C)C1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-3-20-15(19)11-17(13-6-7-13)10-14(18)16-8-4-5-12(2)9-16/h12-13H,3-11H2,1-2H3
InChIKeyWVLBVVWXGZHGJH-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 47075930
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81118602
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate
CID 171623835
ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate
CID 86842837
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate (CID 62027607) is ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate is CCOC(=O)CN(CC(=O)N1CCCC(C)C1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
The InChIKey is WVLBVVWXGZHGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-20-15(19)11-17(13-6-7-13)10-14(18)16-8-4-5-12(2)9-16/h12-13H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate has a molecular weight of 282.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 62027607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).