4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide

C21H29N5O3 — CID 134802320

IUPAC4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCN(CCn3nc4n(c3=O)CCCC4)C2)cc1
InChIInChI=1S/C21H29N5O3/c1-29-18-9-7-16(8-10-18)20(27)22-17-5-4-11-24(15-17)13-14-26-21(28)25-12-3-2-6-19(25)23-26/h7-10,17H,2-6,11-15H2,1H3,(H,22,27)
InChIKeyAAKIOGLUVQAWQK-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.28
Rot. Bonds6

About 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide

4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide (PubChem CID 134802320) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
PubChem CID134802320
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCN(CCn3nc4n(c3=O)CCCC4)C2)cc1
InChIInChI=1S/C21H29N5O3/c1-29-18-9-7-16(8-10-18)20(27)22-17-5-4-11-24(15-17)13-14-26-21(28)25-12-3-2-6-19(25)23-26/h7-10,17H,2-6,11-15H2,1H3,(H,22,27)
InChIKeyAAKIOGLUVQAWQK-UHFFFAOYSA-N
XLogP1.28
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide with MolForge

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Related Compounds

3-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134801337
6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134804063
2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide
CID 134803087
1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
CID 134801279
N-cyclopropyl-4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]amino]benzamide
CID 36557514
4-[4-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoyl]phenoxy]benzamide
CID 56548941
N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide
CID 127446917
methyl 4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoate
CID 62937153
4-(2-oxopyrrolidin-1-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55766617
2-[4-(methylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936827
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134802162
1-(1-methyl-6-oxopiperidin-3-yl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 102557756

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide (CID 134802320) is 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide is COc1ccc(C(=O)NC2CCCN(CCn3nc4n(c3=O)CCCC4)C2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide?
The InChIKey is AAKIOGLUVQAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-29-18-9-7-16(8-10-18)20(27)22-17-5-4-11-24(15-17)13-14-26-21(28)25-12-3-2-6-19(25)23-26/h7-10,17H,2-6,11-15H2,1H3,(H,22,27).
What are the key properties of 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide?
4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide has a molecular weight of 399.50 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 134802320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).