propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate

C13H24N2O3 — CID 119338456

IUPACpropan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCC(C)OC(=O)C(C)CNC(=O)C1CCNCC1
InChIInChI=1S/C13H24N2O3/c1-9(2)18-13(17)10(3)8-15-12(16)11-4-6-14-7-5-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyMZDIPEXYHFIZIO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.69
Rot. Bonds5

About propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate

propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate (PubChem CID 119338456) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
PubChem CID119338456
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namepropan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCC(C)OC(=O)C(C)CNC(=O)C1CCNCC1
InChIInChI=1S/C13H24N2O3/c1-9(2)18-13(17)10(3)8-15-12(16)11-4-6-14-7-5-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyMZDIPEXYHFIZIO-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119326846
propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride
CID 119338471
propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119338461
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
propan-2-yl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-2-methylpropanoate
CID 119338446
N-[2-(dimethylamino)-3-ethylpentyl]piperidine-4-carboxamide
CID 61275439
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633653
N-ethoxypiperidine-4-carboxamide
CID 64974737
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
The IUPAC name of propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate (CID 119338456) is propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate.
What is the SMILES notation for propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
The canonical SMILES for propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate is CC(C)OC(=O)C(C)CNC(=O)C1CCNCC1.
What is the InChIKey of propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
The InChIKey is MZDIPEXYHFIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)18-13(17)10(3)8-15-12(16)11-4-6-14-7-5-11/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate?
propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate is sourced from PubChem (CID 119338456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).