6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H31N5O3 — CID 91797820

IUPAC6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)CC(C(=O)N1CCC(CO)(CN3CCCC3)CC1)CC2
InChIInChI=1S/C19H31N5O3/c1-21-18(27)24-12-15(4-5-16(24)20-21)17(26)23-10-6-19(14-25,7-11-23)13-22-8-2-3-9-22/h15,25H,2-14H2,1H3
InChIKeyKWXQOWQICAZCPA-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.16
Rot. Bonds4

About 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 91797820) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID91797820
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)CC(C(=O)N1CCC(CO)(CN3CCCC3)CC1)CC2
InChIInChI=1S/C19H31N5O3/c1-21-18(27)24-12-15(4-5-16(24)20-21)17(26)23-10-6-19(14-25,7-11-23)13-22-8-2-3-9-22/h15,25H,2-14H2,1H3
InChIKeyKWXQOWQICAZCPA-UHFFFAOYSA-N
XLogP-0.16
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

8-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97191764
2-Isobutyl-8-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72860753
8-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97191763
(6S)-6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100330867
(6R)-6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100330878

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 91797820) is 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2n(c1=O)CC(C(=O)N1CCC(CO)(CN3CCCC3)CC1)CC2.
What is the InChIKey of 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KWXQOWQICAZCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-21-18(27)24-12-15(4-5-16(24)20-21)17(26)23-10-6-19(14-25,7-11-23)13-22-8-2-3-9-22/h15,25H,2-14H2,1H3.
What are the key properties of 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 377.49 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 91797820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).