3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide

C12H21N5O — CID 53498427

IUPAC3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCn2cncn2)C1
InChIInChI=1S/C12H21N5O/c1-11-4-2-6-16(8-11)12(18)14-5-3-7-17-10-13-9-15-17/h9-11H,2-8H2,1H3,(H,14,18)
InChIKeyYHZGYDVQZADRTP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds4

About 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide

3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 53498427) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
PubChem CID53498427
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCn2cncn2)C1
InChIInChI=1S/C12H21N5O/c1-11-4-2-6-16(8-11)12(18)14-5-3-7-17-10-13-9-15-17/h9-11H,2-8H2,1H3,(H,14,18)
InChIKeyYHZGYDVQZADRTP-UHFFFAOYSA-N
XLogP1.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide 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-(1,2,4-triazol-1-yl)propyl]azepane-1-carboxamide
CID 53498860
1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42938651
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
CID 79159564
(2R)-2-(4-ethoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94058325
(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94057824
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 115688762
1-[(2S)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 97092342

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide (CID 53498427) is 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide is CC1CCCN(C(=O)NCCCn2cncn2)C1.
What is the InChIKey of 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is YHZGYDVQZADRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-11-4-2-6-16(8-11)12(18)14-5-3-7-17-10-13-9-15-17/h9-11H,2-8H2,1H3,(H,14,18).
What are the key properties of 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide?
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 53498427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).