N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide

C16H23N3O2 — CID 63135121

IUPACN-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(C(N)=O)c2)CCCNC1
InChIInChI=1S/C16H23N3O2/c1-2-16(7-4-8-18-11-16)15(21)19-10-12-5-3-6-13(9-12)14(17)20/h3,5-6,9,18H,2,4,7-8,10-11H2,1H3,(H2,17,20)(H,19,21)
InChIKeyBTADIJDATTWZDI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.18
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide

N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide (PubChem CID 63135121) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
PubChem CID63135121
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(C(N)=O)c2)CCCNC1
InChIInChI=1S/C16H23N3O2/c1-2-16(7-4-8-18-11-16)15(21)19-10-12-5-3-6-13(9-12)14(17)20/h3,5-6,9,18H,2,4,7-8,10-11H2,1H3,(H2,17,20)(H,19,21)
InChIKeyBTADIJDATTWZDI-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 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 ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130126
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116568738
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide (CID 63135121) is N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)NCc2cccc(C(N)=O)c2)CCCNC1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide?
The InChIKey is BTADIJDATTWZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-16(7-4-8-18-11-16)15(21)19-10-12-5-3-6-13(9-12)14(17)20/h3,5-6,9,18H,2,4,7-8,10-11H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63135121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).