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

C16H23N3O2 — CID 119295626

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-18-15(20)13-6-3-5-12(9-13)10-19-16(21)14-7-4-8-17-11-14/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyOMANPFDNLDKDTF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.05
Rot. Bonds5

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

N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119295626) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119295626
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-18-15(20)13-6-3-5-12(9-13)10-19-16(21)14-7-4-8-17-11-14/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyOMANPFDNLDKDTF-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-4-carboxamide
CID 119295612
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305142
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
CID 91518240
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
CID 119289038
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (CID 119295626) is N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide is CCNC(=O)c1cccc(CNC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OMANPFDNLDKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-18-15(20)13-6-3-5-12(9-13)10-19-16(21)14-7-4-8-17-11-14/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-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-3-carboxamide is sourced from PubChem (CID 119295626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).