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

C14H23N5O2 — CID 73167716

IUPAC2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C14H23N5O2/c1-15-12(20)9-18-7-5-10(6-8-18)13-16-17(2)14(21)19(13)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,15,20)
InChIKeyXXCBRMXXIGHNFQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.16
Rot. Bonds4

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

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide (PubChem CID 73167716) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide
PubChem CID73167716
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C14H23N5O2/c1-15-12(20)9-18-7-5-10(6-8-18)13-16-17(2)14(21)19(13)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,15,20)
InChIKeyXXCBRMXXIGHNFQ-UHFFFAOYSA-N
XLogP-0.16
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

ethyl 4-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxobutanoate
CID 90542992
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
N-methyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793786
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 121118020
4-cyclopentyl-5-[1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121118087
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
2-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90542997
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008
4-cyclopropyl-2-methyl-5-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90542899
2-[3-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 90542998
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
4-cyclopropyl-5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide (CID 73167716) is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is XXCBRMXXIGHNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-15-12(20)9-18-7-5-10(6-8-18)13-16-17(2)14(21)19(13)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,15,20).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide?
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 293.37 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 73167716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).