N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C16H23N3O2 — CID 119295612

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-18-16(21)14-5-3-4-12(10-14)11-19-15(20)13-6-8-17-9-7-13/h3-5,10,13,17H,2,6-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyGYMQTLRQMNVCLA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.05
Rot. Bonds5

About N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119295612) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119295612
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-18-16(21)14-5-3-4-12(10-14)11-19-15(20)13-6-8-17-9-7-13/h3-5,10,13,17H,2,6-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyGYMQTLRQMNVCLA-UHFFFAOYSA-N
XLogP1.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
CID 119289038
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797
1-(2,4-dimethylphenyl)sulfonyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 55724146
(3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51950357
N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284523
N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55724009
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 119295612) is N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is CCNC(=O)c1cccc(CNC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is GYMQTLRQMNVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-18-16(21)14-5-3-4-12(10-14)11-19-15(20)13-6-8-17-9-7-13/h3-5,10,13,17H,2,6-9,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119295612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).