N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide

C15H18BrN5O — CID 119315545

IUPACN-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CCCNC1
InChIInChI=1S/C15H18BrN5O/c16-12-5-3-10(4-6-12)14-19-13(20-21-14)9-18-15(22)11-2-1-7-17-8-11/h3-6,11,17H,1-2,7-9H2,(H,18,22)(H,19,20,21)
InChIKeyBIMIAYCNXWBMJG-UHFFFAOYSA-N
MW364.25 g/mol
LogP1.85
Rot. Bonds4

About N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide

N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 119315545) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID119315545
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CCCNC1
InChIInChI=1S/C15H18BrN5O/c16-12-5-3-10(4-6-12)14-19-13(20-21-14)9-18-15(22)11-2-1-7-17-8-11/h3-6,11,17H,1-2,7-9H2,(H,18,22)(H,19,20,21)
InChIKeyBIMIAYCNXWBMJG-UHFFFAOYSA-N
XLogP1.85
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
CID 119315533
3-amino-N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769691
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119776095
(3R)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439836
trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 91776859
N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 126623972
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 119311516
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119319176
N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119323739
(2S)-2-amino-N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 119315527
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide (CID 119315545) is N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide is O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CCCNC1.
What is the InChIKey of N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is BIMIAYCNXWBMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c16-12-5-3-10(4-6-12)14-19-13(20-21-14)9-18-15(22)11-2-1-7-17-8-11/h3-6,11,17H,1-2,7-9H2,(H,18,22)(H,19,20,21).
What are the key properties of N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119315545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).