1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone

C17H23N5O — CID 53192805

IUPAC1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCC(C)n1cnnc1C1CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C17H23N5O/c1-13(2)22-12-19-20-17(22)15-6-4-8-21(11-15)16(23)9-14-5-3-7-18-10-14/h3,5,7,10,12-13,15H,4,6,8-9,11H2,1-2H3
InChIKeyQTOMVZKOVVUDTF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.20
Rot. Bonds4

About 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone

1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 53192805) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID53192805
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCC(C)n1cnnc1C1CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C17H23N5O/c1-13(2)22-12-19-20-17(22)15-6-4-8-21(11-15)16(23)9-14-5-3-7-18-10-14/h3,5,7,10,12-13,15H,4,6,8-9,11H2,1-2H3
InChIKeyQTOMVZKOVVUDTF-UHFFFAOYSA-N
XLogP2.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone 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

1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
1-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119064677
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 97089224
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
1-[(3S)-3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95815681
(E)-3-(3-phenylmethoxyphenyl)-1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 86906381
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72920585
2-methyl-5-[1-(2-phenylacetyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541225

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone (CID 53192805) is 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone is CC(C)n1cnnc1C1CCCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is QTOMVZKOVVUDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(2)22-12-19-20-17(22)15-6-4-8-21(11-15)16(23)9-14-5-3-7-18-10-14/h3,5,7,10,12-13,15H,4,6,8-9,11H2,1-2H3.
What are the key properties of 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 313.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 53192805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).