methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride

C16H23ClN2O3 — CID 119290974

IUPACmethyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-21-16(20)14(11-12-7-3-2-4-8-12)18-15(19)13-9-5-6-10-17-13;/h2-4,7-8,13-14,17H,5-6,9-11H2,1H3,(H,18,19);1H
InChIKeyXREYNDOTBNLMIZ-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.45
Rot. Bonds5

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

methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride (PubChem CID 119290974) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
PubChem CID119290974
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Namemethyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-21-16(20)14(11-12-7-3-2-4-8-12)18-15(19)13-9-5-6-10-17-13;/h2-4,7-8,13-14,17H,5-6,9-11H2,1H3,(H,18,19);1H
InChIKeyXREYNDOTBNLMIZ-UHFFFAOYSA-N
XLogP1.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 14151468
tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate
CID 10314727
methyl 2-hydroxy-4-phenyl-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 70062434
methyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-3-phenylpropanoate
CID 119290976
3-phenyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223664
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
methyl 3-phenyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate;hydrochloride
CID 119290984
tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]pentanoate
CID 10366250
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid
CID 103870775
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride?
The IUPAC name of methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride (CID 119290974) is methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride is COC(=O)C(Cc1ccccc1)NC(=O)C1CCCCN1.Cl.
What is the InChIKey of methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride?
The InChIKey is XREYNDOTBNLMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-21-16(20)14(11-12-7-3-2-4-8-12)18-15(19)13-9-5-6-10-17-13;/h2-4,7-8,13-14,17H,5-6,9-11H2,1H3,(H,18,19);1H.
What are the key properties of methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride?
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride is sourced from PubChem (CID 119290974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).