N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

C13H23N5O — CID 97253484

IUPACN-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C13H23N5O/c1-2-3-7-14-12(19)9-18-8-5-4-6-11(18)13-15-10-16-17-13/h10-11H,2-9H2,1H3,(H,14,19)(H,15,16,17)/t11-/m1/s1
InChIKeyOYNHCNJXQWXWIZ-LLVKDONJSA-N
MW265.36 g/mol
LogP1.25
Rot. Bonds6

About N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 97253484) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
PubChem CID97253484
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C13H23N5O/c1-2-3-7-14-12(19)9-18-8-5-4-6-11(18)13-15-10-16-17-13/h10-11H,2-9H2,1H3,(H,14,19)(H,15,16,17)/t11-/m1/s1
InChIKeyOYNHCNJXQWXWIZ-LLVKDONJSA-N
XLogP1.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 126799165
N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 132971145
N-(2,6-difluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
CID 136585664
N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380525
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339149
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 129380474
1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128994066
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide
CID 146143039

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (CID 97253484) is N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is CCCCNC(=O)CN1CCCC[C@@H]1c1ncn[nH]1.
What is the InChIKey of N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is OYNHCNJXQWXWIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-3-7-14-12(19)9-18-8-5-4-6-11(18)13-15-10-16-17-13/h10-11H,2-9H2,1H3,(H,14,19)(H,15,16,17)/t11-/m1/s1.
What are the key properties of N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 97253484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).