methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate

C17H30N2O3 — CID 60524224

IUPACmethyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)NC1CCCCC1C
InChIInChI=1S/C17H30N2O3/c1-13-7-3-4-9-15(13)18-16(20)12-19-10-6-5-8-14(19)11-17(21)22-2/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyZGCOSWHEITXIPS-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.10
Rot. Bonds5

About methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate (PubChem CID 60524224) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate
PubChem CID60524224
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Namemethyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)NC1CCCCC1C
InChIInChI=1S/C17H30N2O3/c1-13-7-3-4-9-15(13)18-16(20)12-19-10-6-5-8-14(19)11-17(21)22-2/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyZGCOSWHEITXIPS-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate 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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 61360608
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64563925
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 80505960
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
methyl 2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 62026394
methyl (2S)-4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]thiomorpholine-2-carboxylate
CID 8549747
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
CID 51965662
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
CID 82851116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate (CID 60524224) is methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC(=O)NC1CCCCC1C.
What is the InChIKey of methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate?
The InChIKey is ZGCOSWHEITXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13-7-3-4-9-15(13)18-16(20)12-19-10-6-5-8-14(19)11-17(21)22-2/h13-15H,3-12H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate has a molecular weight of 310.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 60524224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).