(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C18H29ClN2O3 — CID 120637313

IUPAC(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-4-5-16(17(10-13)23-9-8-22-3)12-20-18(21)15-6-7-19-14(2)11-15;/h4-5,10,14-15,19H,6-9,11-12H2,1-3H3,(H,20,21);1H/t14-,15-;/m0./s1
InChIKeyBFLNEVHTUBBDOP-YYLIZZNMSA-N
MW356.89 g/mol
LogP2.45
Rot. Bonds7

About (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120637313) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120637313
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-4-5-16(17(10-13)23-9-8-22-3)12-20-18(21)15-6-7-19-14(2)11-15;/h4-5,10,14-15,19H,6-9,11-12H2,1-3H3,(H,20,21);1H/t14-,15-;/m0./s1
InChIKeyBFLNEVHTUBBDOP-YYLIZZNMSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120639907
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339713
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
(2S,4S)-N-[[3-(3-methoxypropoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639826
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119339585

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120637313) is (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COCCOc1cc(C)ccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BFLNEVHTUBBDOP-YYLIZZNMSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13-4-5-16(17(10-13)23-9-8-22-3)12-20-18(21)15-6-7-19-14(2)11-15;/h4-5,10,14-15,19H,6-9,11-12H2,1-3H3,(H,20,21);1H/t14-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).