N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119283556

IUPACN-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-21(4-2)18(23)15-10-8-14(9-11-15)13-20-17(22)16-7-5-6-12-19-16;/h8-11,16,19H,3-7,12-13H2,1-2H3,(H,20,22);1H
InChIKeyDZWKMTATDGLASF-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.35
Rot. Bonds6

About N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride

N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119283556) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119283556
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-21(4-2)18(23)15-10-8-14(9-11-15)13-20-17(22)16-7-5-6-12-19-16;/h8-11,16,19H,3-7,12-13H2,1-2H3,(H,20,22);1H
InChIKeyDZWKMTATDGLASF-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848309
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (CID 119283556) is N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is CCN(CC)C(=O)c1ccc(CNC(=O)C2CCCCN2)cc1.Cl.
What is the InChIKey of N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is DZWKMTATDGLASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-3-21(4-2)18(23)15-10-8-14(9-11-15)13-20-17(22)16-7-5-6-12-19-16;/h8-11,16,19H,3-7,12-13H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119283556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).