methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate

C15H28N2O3 — CID 3987418

IUPACmethyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)N1CCCCC1CC)C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-5-11(3)13(14(18)20-4)16-15(19)17-10-8-7-9-12(17)6-2/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyONBQQLIQRWVSLK-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.55
Rot. Bonds5

About methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate

methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate (PubChem CID 3987418) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate
PubChem CID3987418
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)N1CCCCC1CC)C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-5-11(3)13(14(18)20-4)16-15(19)17-10-8-7-9-12(17)6-2/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyONBQQLIQRWVSLK-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid
CID 61191277
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
2-ethylazepane-1-carbohydrazide
CID 104691127
2-ethyl-N-(methoxymethyl)piperidine-1-carboxamide
CID 108893599
(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
CID 6956248
2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 106346761
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
methyl (2R,3S)-2-[(4-acetylpiperazine-1-carbonyl)amino]-3-methylpentanoate
CID 92508435
2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
CID 112747922
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate (CID 3987418) is methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)N1CCCCC1CC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate?
The InChIKey is ONBQQLIQRWVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11(3)13(14(18)20-4)16-15(19)17-10-8-7-9-12(17)6-2/h11-13H,5-10H2,1-4H3,(H,16,19).
What are the key properties of methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate?
methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate has a molecular weight of 284.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 3987418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).