N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide

C14H17N5O — CID 74233718

IUPACN-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(N[C@@H]1CCCNC1)c1ccccc1-n1cnnc1
InChIInChI=1S/C14H17N5O/c20-14(18-11-4-3-7-15-8-11)12-5-1-2-6-13(12)19-9-16-17-10-19/h1-2,5-6,9-11,15H,3-4,7-8H2,(H,18,20)/t11-/m1/s1
InChIKeyBTWKANQOZDXXNG-LLVKDONJSA-N
MW271.32 g/mol
LogP0.75
Rot. Bonds3

About N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide

N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide (PubChem CID 74233718) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide
PubChem CID74233718
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(N[C@@H]1CCCNC1)c1ccccc1-n1cnnc1
InChIInChI=1S/C14H17N5O/c20-14(18-11-4-3-7-15-8-11)12-5-1-2-6-13(12)19-9-16-17-10-19/h1-2,5-6,9-11,15H,3-4,7-8H2,(H,18,20)/t11-/m1/s1
InChIKeyBTWKANQOZDXXNG-LLVKDONJSA-N
XLogP0.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
N-piperidin-3-ylbenzamide
CID 22017045
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide (CID 74233718) is N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide is O=C(N[C@@H]1CCCNC1)c1ccccc1-n1cnnc1.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is BTWKANQOZDXXNG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(18-11-4-3-7-15-8-11)12-5-1-2-6-13(12)19-9-16-17-10-19/h1-2,5-6,9-11,15H,3-4,7-8H2,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide?
N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 74233718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).