[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate

C18H27N3O3 — CID 58032739

IUPAC[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate
SMILESCNC(=O)COC(=O)CCCC1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C18H27N3O3/c1-14-5-3-7-16(20-14)21-11-9-15(10-12-21)6-4-8-18(23)24-13-17(22)19-2/h3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,22)
InChIKeyFSRUJPQOTOVYCQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.07
Rot. Bonds7

About [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate

[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate (PubChem CID 58032739) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate
PubChem CID58032739
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate
SMILESCNC(=O)COC(=O)CCCC1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C18H27N3O3/c1-14-5-3-7-16(20-14)21-11-9-15(10-12-21)6-4-8-18(23)24-13-17(22)19-2/h3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,22)
InChIKeyFSRUJPQOTOVYCQ-UHFFFAOYSA-N
XLogP2.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylamino)-2-oxoethyl] 4-(1-isoquinolin-3-ylpiperidin-4-yl)butanoate
CID 58032707
(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032757
[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68574272
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
CID 58032790
2-[1-(6-methyl-2-pyridinyl)azetidin-3-yl]ethanol
CID 67294165
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67136421
methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate
CID 135277813
(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate
CID 58032679
(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate
CID 58032803

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate (CID 58032739) is [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate is CNC(=O)COC(=O)CCCC1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate?
The InChIKey is FSRUJPQOTOVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-5-3-7-16(20-14)21-11-9-15(10-12-21)6-4-8-18(23)24-13-17(22)19-2/h3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,22).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate?
[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate has a molecular weight of 333.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate is sourced from PubChem (CID 58032739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).