N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride

C17H26ClN3O3 — CID 119342431

IUPACN-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-4-23-15-8-7-12(17(22)20(2)3)10-14(15)19-16(21)13-6-5-9-18-11-13;/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,21);1H
InChIKeyGMWKNCGPPOAGLD-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.15
Rot. Bonds5

About N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride

N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119342431) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119342431
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-4-23-15-8-7-12(17(22)20(2)3)10-14(15)19-16(21)13-6-5-9-18-11-13;/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,21);1H
InChIKeyGMWKNCGPPOAGLD-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119816560
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 119268085
(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
CID 81119695
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride (CID 119342431) is N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride is CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is GMWKNCGPPOAGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-4-23-15-8-7-12(17(22)20(2)3)10-14(15)19-16(21)13-6-5-9-18-11-13;/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride?
N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119342431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).