N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide

C14H19BrN2O — CID 63132260

IUPACN-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(7-4-8-16-10-14)13(18)17-12-6-3-5-11(15)9-12/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,18)
InChIKeyPWKIVRBPOPAUNM-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.17
Rot. Bonds3

About N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide

N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide (PubChem CID 63132260) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
PubChem CID63132260
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(7-4-8-16-10-14)13(18)17-12-6-3-5-11(15)9-12/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,18)
InChIKeyPWKIVRBPOPAUNM-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
CID 63132301
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
CID 63132083
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63139750
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide (CID 63132260) is N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)Nc2cccc(Br)c2)CCCNC1.
What is the InChIKey of N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is PWKIVRBPOPAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-14(7-4-8-16-10-14)13(18)17-12-6-3-5-11(15)9-12/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide?
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63132260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).