propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride

C13H25ClN2O3 — CID 119338471

IUPACpropan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride
SMILESCC(C)OC(=O)C(C)CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-9(2)18-13(17)10(3)7-15-12(16)11-5-4-6-14-8-11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H
InChIKeyRZSVCMXZEZYZDK-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.11
Rot. Bonds5

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

propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride (PubChem CID 119338471) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride
PubChem CID119338471
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Namepropan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride
SMILESCC(C)OC(=O)C(C)CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-9(2)18-13(17)10(3)7-15-12(16)11-5-4-6-14-8-11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H
InChIKeyRZSVCMXZEZYZDK-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119338456
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119338461
methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
CID 107222681
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(2-cyclopropyl-2-hydroxyethyl)piperidine-3-carboxamide
CID 63297016
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
CID 43704259
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
2-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81134818
N-(2,3-dihydroxypropyl)piperidine-3-carboxamide
CID 66169749

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride?
The IUPAC name of propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride (CID 119338471) is propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride?
The canonical SMILES for propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride is CC(C)OC(=O)C(C)CNC(=O)C1CCCNC1.Cl.
What is the InChIKey of propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride?
The InChIKey is RZSVCMXZEZYZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-9(2)18-13(17)10(3)7-15-12(16)11-5-4-6-14-8-11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H.
What are the key properties of propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride?
propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 1.11, 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-3-carbonylamino)propanoate;hydrochloride is sourced from PubChem (CID 119338471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).