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

C18H23N5O2 — CID 92634245

IUPACN-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCCN1C(=O)Cn1cncn1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c24-17(12-22-14-19-13-21-22)23-11-5-4-8-16(23)9-10-20-18(25)15-6-2-1-3-7-15/h1-3,6-7,13-14,16H,4-5,8-12H2,(H,20,25)/t16-/m1/s1
InChIKeyDYKTUJGFZSIJOC-MRXNPFEDSA-N
MW341.41 g/mol
LogP1.48
Rot. Bonds6

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

N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide (PubChem CID 92634245) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
PubChem CID92634245
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCCN1C(=O)Cn1cncn1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c24-17(12-22-14-19-13-21-22)23-11-5-4-8-16(23)9-10-20-18(25)15-6-2-1-3-7-15/h1-3,6-7,13-14,16H,4-5,8-12H2,(H,20,25)/t16-/m1/s1
InChIKeyDYKTUJGFZSIJOC-MRXNPFEDSA-N
XLogP1.48
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634328
2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid
CID 54899337
N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
N-[2-[(2S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 124968105
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 66260539
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
CID 110076051
N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
CID 132779425
N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146131423
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624
1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 129325100
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide (CID 92634245) is N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide is O=C(NCC[C@H]1CCCCN1C(=O)Cn1cncn1)c1ccccc1.
What is the InChIKey of N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
The InChIKey is DYKTUJGFZSIJOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(12-22-14-19-13-21-22)23-11-5-4-8-16(23)9-10-20-18(25)15-6-2-1-3-7-15/h1-3,6-7,13-14,16H,4-5,8-12H2,(H,20,25)/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 92634245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).