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

C15H28N2O3 — CID 63130798

IUPACmethyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)C1(CC)CCCNC1)C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-5-11(3)12(13(18)20-4)17-14(19)15(6-2)8-7-9-16-10-15/h11-12,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyRDRYWSJBPTVDPV-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds6

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

methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate (PubChem CID 63130798) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
PubChem CID63130798
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)C1(CC)CCCNC1)C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-5-11(3)12(13(18)20-4)17-14(19)15(6-2)8-7-9-16-10-15/h11-12,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyRDRYWSJBPTVDPV-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63130841
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 63133312
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
CID 63131411
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate (CID 63130798) is methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)C1(CC)CCCNC1)C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate?
The InChIKey is RDRYWSJBPTVDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11(3)12(13(18)20-4)17-14(19)15(6-2)8-7-9-16-10-15/h11-12,16H,5-10H2,1-4H3,(H,17,19).
What are the key properties of methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate?
methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate has a molecular weight of 284.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 63130798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).