N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

C16H19N5O2 — CID 138000644

IUPACN-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCN1CCC(NC(=O)Cc2ccc(-n3cnnc3)cc2)CC1=O
InChIInChI=1S/C16H19N5O2/c1-20-7-6-13(9-16(20)23)19-15(22)8-12-2-4-14(5-3-12)21-10-17-18-11-21/h2-5,10-11,13H,6-9H2,1H3,(H,19,22)
InChIKeyBHBKDJHETGGDPT-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.55
Rot. Bonds4

About N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 138000644) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID138000644
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCN1CCC(NC(=O)Cc2ccc(-n3cnnc3)cc2)CC1=O
InChIInChI=1S/C16H19N5O2/c1-20-7-6-13(9-16(20)23)19-15(22)8-12-2-4-14(5-3-12)21-10-17-18-11-21/h2-5,10-11,13H,6-9H2,1H3,(H,19,22)
InChIKeyBHBKDJHETGGDPT-UHFFFAOYSA-N
XLogP0.55
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 138000636
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 136548790
N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 154762448
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 166324544
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
4-(ethylamino)-1-methylpiperidin-2-one
CID 146770856

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 138000644) is N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is CN1CCC(NC(=O)Cc2ccc(-n3cnnc3)cc2)CC1=O.
What is the InChIKey of N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is BHBKDJHETGGDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-7-6-13(9-16(20)23)19-15(22)8-12-2-4-14(5-3-12)21-10-17-18-11-21/h2-5,10-11,13H,6-9H2,1H3,(H,19,22).
What are the key properties of N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 138000644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).