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

C21H29N5O3 — CID 134801337

IUPAC3-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
SMILESCOc1cccc(C(=O)NC2CCCN(CCn3nc4n(c3=O)CCCC4)C2)c1
InChIInChI=1S/C21H29N5O3/c1-29-18-8-4-6-16(14-18)20(27)22-17-7-5-10-24(15-17)12-13-26-21(28)25-11-3-2-9-19(25)23-26/h4,6,8,14,17H,2-3,5,7,9-13,15H2,1H3,(H,22,27)
InChIKeyMLFHQOBXAZURKE-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.28
Rot. Bonds6

About 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

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 (PubChem CID 134801337) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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 CID134801337
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name3-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
SMILESCOc1cccc(C(=O)NC2CCCN(CCn3nc4n(c3=O)CCCC4)C2)c1
InChIInChI=1S/C21H29N5O3/c1-29-18-8-4-6-16(14-18)20(27)22-17-7-5-10-24(15-17)12-13-26-21(28)25-11-3-2-9-19(25)23-26/h4,6,8,14,17H,2-3,5,7,9-13,15H2,1H3,(H,22,27)
InChIKeyMLFHQOBXAZURKE-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

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Related Compounds

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
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
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-2-carboxamide
CID 134801951
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55767126
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
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-methoxy-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 47017151
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
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 45210664
N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide
CID 95282014
2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 15105360

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(C(=O)NC2CCCN(CCn3nc4n(c3=O)CCCC4)C2)c1.
What is the InChIKey of 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?
The InChIKey is MLFHQOBXAZURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-29-18-8-4-6-16(14-18)20(27)22-17-7-5-10-24(15-17)12-13-26-21(28)25-11-3-2-9-19(25)23-26/h4,6,8,14,17H,2-3,5,7,9-13,15H2,1H3,(H,22,27).
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 134801337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).