(3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide

C18H28N6O2 — CID 72867922

IUPAC(3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H28N6O2/c25-17(20-12-16-22-21-15-5-1-2-8-24(15)16)13-9-14(11-19-10-13)18(26)23-6-3-4-7-23/h13-14,19H,1-12H2,(H,20,25)/t13-,14-/m1/s1
InChIKeyBWSGICFMARWJOM-ZIAGYGMSSA-N
MW360.46 g/mol
LogP0.08
Rot. Bonds4

About (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 72867922) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID72867922
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name(3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H28N6O2/c25-17(20-12-16-22-21-15-5-1-2-8-24(15)16)13-9-14(11-19-10-13)18(26)23-6-3-4-7-23/h13-14,19H,1-12H2,(H,20,25)/t13-,14-/m1/s1
InChIKeyBWSGICFMARWJOM-ZIAGYGMSSA-N
XLogP0.08
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-{3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-4-oxobutanamide
CID 70777373
Sdccgsbi-0662590.P001
CID 118740478
4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}piperidine
CID 72841531
1-[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509695
1-[3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509703
(3R*,5R*)-5-(morpholin-4-ylcarbonyl)-N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 72871644
Pyrrolidin-1-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 134788940
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4-methylpiperidin-2-one
CID 11952627
(5R)-1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methylpiperidin-2-one
CID 11952629
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4-(trifluoromethyl)piperidin-2-one
CID 11952678
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-(trifluoromethyl)piperidin-2-one
CID 11952679
(5S)-1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methylpiperidin-2-one
CID 11953149

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 72867922) is (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1nnc2n1CCCC2)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is BWSGICFMARWJOM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H28N6O2/c25-17(20-12-16-22-21-15-5-1-2-8-24(15)16)13-9-14(11-19-10-13)18(26)23-6-3-4-7-23/h13-14,19H,1-12H2,(H,20,25)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(pyrrolidine-1-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72867922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).