methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate

C15H28N2O3 — CID 81129207

IUPACmethyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-4-12(5-2)10-17(11-14(18)20-3)15(19)13-7-6-8-16-9-13/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyKDOVSGCBEKFNCF-ZDUSSCGKSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds7

About methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate

methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate (PubChem CID 81129207) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate
PubChem CID81129207
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-4-12(5-2)10-17(11-14(18)20-3)15(19)13-7-6-8-16-9-13/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyKDOVSGCBEKFNCF-ZDUSSCGKSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739382
N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119727932
N,N-diethylpiperidine-3-carboxamide
CID 18793
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
(3S)-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81141076
N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
CID 24696269
(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
CID 81140301
(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129896
N,N-dibutylpiperidine-3-carboxamide;hydrochloride
CID 119262431
(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140319
(3R)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate (CID 81129207) is methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate is CCC(CC)CN(CC(=O)OC)C(=O)[C@H]1CCCNC1.
What is the InChIKey of methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate?
The InChIKey is KDOVSGCBEKFNCF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-12(5-2)10-17(11-14(18)20-3)15(19)13-7-6-8-16-9-13/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate?
methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.42, 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-[(3S)-piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 81129207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).