pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone

C18H28N6O2 — CID 156606511

IUPACpyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
SMILESO=C(C1CNCC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1)N1CCCC1
InChIInChI=1S/C18H28N6O2/c25-17(23-5-1-2-6-23)14-9-15(11-19-10-14)18(26)24-7-3-13(4-8-24)16-20-12-21-22-16/h12-15,19H,1-11H2,(H,20,21,22)
InChIKeyQTWALOHSJMGSTN-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.36
Rot. Bonds3

About pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone

pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone (PubChem CID 156606511) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
PubChem CID156606511
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Namepyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
SMILESO=C(C1CNCC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1)N1CCCC1
InChIInChI=1S/C18H28N6O2/c25-17(23-5-1-2-6-23)14-9-15(11-19-10-14)18(26)24-7-3-13(4-8-24)16-20-12-21-22-16/h12-15,19H,1-11H2,(H,20,21,22)
InChIKeyQTWALOHSJMGSTN-UHFFFAOYSA-N
XLogP0.36
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-1-yl-[(3S,5S)-5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone
CID 133118108
[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 72917725
(1-hydroxycyclohexyl)-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128894652
(4S)-1-(pyridin-4-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97281518
[1-(4-methylbenzoyl)piperidin-4-yl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131918079
[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 124572044
(3-chloro-4-pyrrolidin-1-ylphenyl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 90653954
(4R)-1-(pyridin-2-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 96783398
(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131923801
pyrrolidin-2-yl-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119889273
3-ethylsulfanyl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 90648217
2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 131945624

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone (CID 156606511) is pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone is O=C(C1CNCC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone?
The InChIKey is QTWALOHSJMGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c25-17(23-5-1-2-6-23)14-9-15(11-19-10-14)18(26)24-7-3-13(4-8-24)16-20-12-21-22-16/h12-15,19H,1-11H2,(H,20,21,22).
What are the key properties of pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone?
pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 156606511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).