methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate

C16H30N2O3 — CID 106739382

IUPACmethyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)C1CCNC(C)C1
InChIInChI=1S/C16H30N2O3/c1-5-13(6-2)10-18(11-15(19)21-4)16(20)14-7-8-17-12(3)9-14/h12-14,17H,5-11H2,1-4H3
InChIKeyJOGQZSFLDLOZDR-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds7

About methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate

methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate (PubChem CID 106739382) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
PubChem CID106739382
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)C1CCNC(C)C1
InChIInChI=1S/C16H30N2O3/c1-5-13(6-2)10-18(11-15(19)21-4)16(20)14-7-8-17-12(3)9-14/h12-14,17H,5-11H2,1-4H3
InChIKeyJOGQZSFLDLOZDR-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate
CID 81129207
2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60949936
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
ethyl 2-[2-methoxyethyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739397
(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
CID 120616325
(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616330
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639366
(2S,4S)-N-(cyclopropylmethyl)-2-methyl-N-propylpiperidine-4-carboxamide
CID 120616807
N-cyclohexyl-N-ethyl-2-methylpiperidine-4-carboxamide
CID 106738612

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate (CID 106739382) is methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate is CCC(CC)CN(CC(=O)OC)C(=O)C1CCNC(C)C1.
What is the InChIKey of methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate?
The InChIKey is JOGQZSFLDLOZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-13(6-2)10-18(11-15(19)21-4)16(20)14-7-8-17-12(3)9-14/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate?
methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate has a molecular weight of 298.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 106739382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).