methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride

C21H27ClN2O3 — CID 119325143

IUPACmethyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
SMILESCOC(=O)C(CNC(=O)C1CCCCN1)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-26-21(25)18(14-23-20(24)19-8-4-5-11-22-19)13-15-9-10-16-6-2-3-7-17(16)12-15;/h2-3,6-7,9-10,12,18-19,22H,4-5,8,11,13-14H2,1H3,(H,23,24);1H
InChIKeyUMJKSTARWCCRLR-UHFFFAOYSA-N
MW390.91 g/mol
LogP2.85
Rot. Bonds6

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

methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride (PubChem CID 119325143) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
PubChem CID119325143
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Namemethyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
SMILESCOC(=O)C(CNC(=O)C1CCCCN1)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-26-21(25)18(14-23-20(24)19-8-4-5-11-22-19)13-15-9-10-16-6-2-3-7-17(16)12-15;/h2-3,6-7,9-10,12,18-19,22H,4-5,8,11,13-14H2,1H3,(H,23,24);1H
InChIKeyUMJKSTARWCCRLR-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
CID 119786318
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
CID 119336032
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride
CID 119849955
N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119281586
(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830989
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride?
The IUPAC name of methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride (CID 119325143) is methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride is COC(=O)C(CNC(=O)C1CCCCN1)Cc1ccc2ccccc2c1.Cl.
What is the InChIKey of methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride?
The InChIKey is UMJKSTARWCCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-26-21(25)18(14-23-20(24)19-8-4-5-11-22-19)13-15-9-10-16-6-2-3-7-17(16)12-15;/h2-3,6-7,9-10,12,18-19,22H,4-5,8,11,13-14H2,1H3,(H,23,24);1H.
What are the key properties of methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride?
methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride is sourced from PubChem (CID 119325143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).