N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide

C11H19N5O — CID 62117188

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
SMILESCn1cnnc1CNC(=O)CC1CCCCN1
InChIInChI=1S/C11H19N5O/c1-16-8-14-15-10(16)7-13-11(17)6-9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyUOYNZNIYHVSCKQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.04
Rot. Bonds4

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide (PubChem CID 62117188) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
PubChem CID62117188
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
SMILESCn1cnnc1CNC(=O)CC1CCCCN1
InChIInChI=1S/C11H19N5O/c1-16-8-14-15-10(16)7-13-11(17)6-9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyUOYNZNIYHVSCKQ-UHFFFAOYSA-N
XLogP-0.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63330156
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
N-(2,3-dimethylbutyl)-2-piperidin-2-ylacetamide
CID 64599334
2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 71970064
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methylpiperidin-2-yl)acetamide
CID 106303216
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79538630

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide (CID 62117188) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide is Cn1cnnc1CNC(=O)CC1CCCCN1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide?
The InChIKey is UOYNZNIYHVSCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16-8-14-15-10(16)7-13-11(17)6-9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide has a molecular weight of 237.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide is sourced from PubChem (CID 62117188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).