3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide

C21H28N6O2 — CID 126772136

IUPAC3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCCC(c3nncn3C3CC3)C2)c1
InChIInChI=1S/C21H28N6O2/c1-2-22-21(29)15-5-3-7-17(11-15)24-19(28)13-26-10-4-6-16(12-26)20-25-23-14-27(20)18-8-9-18/h3,5,7,11,14,16,18H,2,4,6,8-10,12-13H2,1H3,(H,22,29)(H,24,28)
InChIKeyLIHTVUDWKZCDGZ-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.18
Rot. Bonds7

About 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide

3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide (PubChem CID 126772136) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
PubChem CID126772136
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCCC(c3nncn3C3CC3)C2)c1
InChIInChI=1S/C21H28N6O2/c1-2-22-21(29)15-5-3-7-17(11-15)24-19(28)13-26-10-4-6-16(12-26)20-25-23-14-27(20)18-8-9-18/h3,5,7,11,14,16,18H,2,4,6,8-10,12-13H2,1H3,(H,22,29)(H,24,28)
InChIKeyLIHTVUDWKZCDGZ-UHFFFAOYSA-N
XLogP2.18
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide with MolForge

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Related Compounds

2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
CID 71922454
3-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 8679962
N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512579
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126795931
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
CID 166256523
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide
CID 48937237
3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
CID 26625766
N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54814797
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide (CID 126772136) is 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN2CCCC(c3nncn3C3CC3)C2)c1.
What is the InChIKey of 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide?
The InChIKey is LIHTVUDWKZCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-2-22-21(29)15-5-3-7-17(11-15)24-19(28)13-26-10-4-6-16(12-26)20-25-23-14-27(20)18-8-9-18/h3,5,7,11,14,16,18H,2,4,6,8-10,12-13H2,1H3,(H,22,29)(H,24,28).
What are the key properties of 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide?
3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide has a molecular weight of 396.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 126772136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).