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

C22H31N5O2 — CID 121118008

IUPAC2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H31N5O2/c1-24(18-8-4-3-5-9-18)20(28)16-26-14-12-17(13-15-26)21-23-25(2)22(29)27(21)19-10-6-7-11-19/h3-5,8-9,17,19H,6-7,10-16H2,1-2H3
InChIKeyUSYVWWQKMQCNPC-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.54
Rot. Bonds5

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

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 121118008) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID121118008
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H31N5O2/c1-24(18-8-4-3-5-9-18)20(28)16-26-14-12-17(13-15-26)21-23-25(2)22(29)27(21)19-10-6-7-11-19/h3-5,8-9,17,19H,6-7,10-16H2,1-2H3
InChIKeyUSYVWWQKMQCNPC-UHFFFAOYSA-N
XLogP2.54
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121118087
4-cyclopentyl-5-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121114929
2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide
CID 73167716
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 121118020
ethyl 4-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]piperazine-1-carboxylate
CID 90542981
ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate
CID 71793801
N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 121115033
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
N-methyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793786
ethyl 4-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxobutanoate
CID 90542992
4-cyclopentyl-2-methyl-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114896

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-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide (CID 121118008) is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is USYVWWQKMQCNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-24(18-8-4-3-5-9-18)20(28)16-26-14-12-17(13-15-26)21-23-25(2)22(29)27(21)19-10-6-7-11-19/h3-5,8-9,17,19H,6-7,10-16H2,1-2H3.
What are the key properties of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 397.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-methyl-N-phenylacetamide is sourced from PubChem (CID 121118008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).