methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate

C16H30N2O3 — CID 83198704

IUPACmethyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C16H30N2O3/c1-11(2)9-13(14(19)21-5)18-15(20)16(3,4)12-7-6-8-17-10-12/h11-13,17H,6-10H2,1-5H3,(H,18,20)
InChIKeyPNKSNBAKOJYLFY-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.72
Rot. Bonds6

About methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate

methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate (PubChem CID 83198704) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate
PubChem CID83198704
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C16H30N2O3/c1-11(2)9-13(14(19)21-5)18-15(20)16(3,4)12-7-6-8-17-10-12/h11-13,17H,6-10H2,1-5H3,(H,18,20)
InChIKeyPNKSNBAKOJYLFY-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]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

methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
CID 43704259
(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
CID 107824520
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884
2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-2-piperidin-3-ylpropanamide
CID 115881590
2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-piperidin-3-ylpropanamide
CID 115881604
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83200384

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate (CID 83198704) is methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate?
The InChIKey is PNKSNBAKOJYLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)9-13(14(19)21-5)18-15(20)16(3,4)12-7-6-8-17-10-12/h11-13,17H,6-10H2,1-5H3,(H,18,20).
What are the key properties of methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate?
methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate has a molecular weight of 298.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate is sourced from PubChem (CID 83198704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).