methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate

C16H30N2O3 — CID 119729113

IUPACmethyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate
SMILESCCCC(C)(NC(=O)CC(C)C1CCCNC1)C(=O)OC
InChIInChI=1S/C16H30N2O3/c1-5-8-16(3,15(20)21-4)18-14(19)10-12(2)13-7-6-9-17-11-13/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyYYLCHNHVOGCDBH-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.86
Rot. Bonds7

About methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate

methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate (PubChem CID 119729113) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate
PubChem CID119729113
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate
SMILESCCCC(C)(NC(=O)CC(C)C1CCCNC1)C(=O)OC
InChIInChI=1S/C16H30N2O3/c1-5-8-16(3,15(20)21-4)18-14(19)10-12(2)13-7-6-9-17-11-13/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyYYLCHNHVOGCDBH-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate 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

N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 115738511
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate (CID 119729113) is methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate is CCCC(C)(NC(=O)CC(C)C1CCCNC1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate?
The InChIKey is YYLCHNHVOGCDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-8-16(3,15(20)21-4)18-14(19)10-12(2)13-7-6-9-17-11-13/h12-13,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate?
methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate has a molecular weight of 298.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate is sourced from PubChem (CID 119729113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).