5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide

C14H25N5O — CID 118773788

IUPAC5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1CCN(CC(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-10(2)9-19-6-4-12(5-7-19)8-15-14(20)13-11(3)16-18-17-13/h10,12H,4-9H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyPGOKDAMNOYTCNR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.21
Rot. Bonds5

About 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide

5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide (PubChem CID 118773788) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide
PubChem CID118773788
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1CCN(CC(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-10(2)9-19-6-4-12(5-7-19)8-15-14(20)13-11(3)16-18-17-13/h10,12H,4-9H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyPGOKDAMNOYTCNR-UHFFFAOYSA-N
XLogP1.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-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

2,2-diethyl-4-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]morpholine
CID 124218215
piperazin-1-yl-[5-(trifluoromethyl)-2H-triazol-4-yl]methanone
CID 141153345
1-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 124206592
5-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 128985948
5-methyl-N-[(3R,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535806
5-methyl-N-[(3S,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535807
5-methyl-N-[(3R,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535808
5-methyl-N-[(3S,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535809
2-ethyl-5-methyl-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]triazole-4-carboxamide
CID 137976020
4-tert-butyl-1-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]azepane
CID 118792160
(1-Ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
N-methyl-N-(2-(piperidin-4-yl)ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 86722662

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide (CID 118773788) is 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NCC1CCN(CC(C)C)CC1.
What is the InChIKey of 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is PGOKDAMNOYTCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(2)9-19-6-4-12(5-7-19)8-15-14(20)13-11(3)16-18-17-13/h10,12H,4-9H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide?
5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 118773788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).