2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide

C22H31N5O3 — CID 121118020

IUPAC2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1
InChIInChI=1S/C22H31N5O3/c1-25-22(29)27(18-7-3-4-8-18)21(24-25)16-10-12-26(13-11-16)15-20(28)23-17-6-5-9-19(14-17)30-2/h5-6,9,14,16,18H,3-4,7-8,10-13,15H2,1-2H3,(H,23,28)
InChIKeyFQPXAAFHEJSVKJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 121118020) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID121118020
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1
InChIInChI=1S/C22H31N5O3/c1-25-22(29)27(18-7-3-4-8-18)21(24-25)16-10-12-26(13-11-16)15-20(28)23-17-6-5-9-19(14-17)30-2/h5-6,9,14,16,18H,3-4,7-8,10-13,15H2,1-2H3,(H,23,28)
InChIKeyFQPXAAFHEJSVKJ-UHFFFAOYSA-N
XLogP2.52
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 121118010
4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121118087
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(3-methoxyphenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95188322
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide
CID 73167716
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(3-methoxyphenyl)-2-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
CID 95560043
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 121118020) is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1.
What is the InChIKey of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is FQPXAAFHEJSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-25-22(29)27(18-7-3-4-8-18)21(24-25)16-10-12-26(13-11-16)15-20(28)23-17-6-5-9-19(14-17)30-2/h5-6,9,14,16,18H,3-4,7-8,10-13,15H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 121118020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).