propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate

C13H24N2O3 — CID 52539083

IUPACpropan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate
SMILESCC1CCN(C(=O)NCCC(=O)OC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)18-12(16)4-7-14-13(17)15-8-5-11(3)6-9-15/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyTZRBDDYPYRZRHC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds4

About propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate

propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate (PubChem CID 52539083) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate
PubChem CID52539083
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namepropan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate
SMILESCC1CCN(C(=O)NCCC(=O)OC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)18-12(16)4-7-14-13(17)15-8-5-11(3)6-9-15/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyTZRBDDYPYRZRHC-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
CID 86870723
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 115583128
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate (CID 52539083) is propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate is CC1CCN(C(=O)NCCC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate?
The InChIKey is TZRBDDYPYRZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)18-12(16)4-7-14-13(17)15-8-5-11(3)6-9-15/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate?
propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate is sourced from PubChem (CID 52539083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).