3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide

C17H25N5O2 — CID 110922342

IUPAC3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCCC(CO)C1)c1nnc2ccccn12
InChIInChI=1S/C17H25N5O2/c1-12(2)15(16-20-19-14-7-3-4-9-22(14)16)18-17(24)21-8-5-6-13(10-21)11-23/h3-4,7,9,12-13,15,23H,5-6,8,10-11H2,1-2H3,(H,18,24)
InChIKeyAGMDCQRDXZZNOE-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.84
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide (PubChem CID 110922342) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide
PubChem CID110922342
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCCC(CO)C1)c1nnc2ccccn12
InChIInChI=1S/C17H25N5O2/c1-12(2)15(16-20-19-14-7-3-4-9-22(14)16)18-17(24)21-8-5-6-13(10-21)11-23/h3-4,7,9,12-13,15,23H,5-6,8,10-11H2,1-2H3,(H,18,24)
InChIKeyAGMDCQRDXZZNOE-UHFFFAOYSA-N
XLogP1.84
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide
CID 111443965
2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide
CID 71869921
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
(3S)-1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylcarbamoyl]piperidine-3-carboxylic acid
CID 154786571
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 127655986
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide (CID 110922342) is 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide is CC(C)C(NC(=O)N1CCCC(CO)C1)c1nnc2ccccn12.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide?
The InChIKey is AGMDCQRDXZZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)15(16-20-19-14-7-3-4-9-22(14)16)18-17(24)21-8-5-6-13(10-21)11-23/h3-4,7,9,12-13,15,23H,5-6,8,10-11H2,1-2H3,(H,18,24).
What are the key properties of 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 110922342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).