[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C15H25N5O — CID 95111210

IUPAC[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)20-10-17-18-14(20)12-5-8-19(9-6-12)15(21)13-4-3-7-16-13/h10-13,16H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyGSQGCHIIVHQAGA-CYBMUJFWSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds3

About [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 95111210) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID95111210
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)20-10-17-18-14(20)12-5-8-19(9-6-12)15(21)13-4-3-7-16-13/h10-13,16H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyGSQGCHIIVHQAGA-CYBMUJFWSA-N
XLogP1.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124682152
piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 166406125
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 50988293
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192626
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 62406030
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 95111210) is [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is CC(C)n1cnnc1C1CCN(C(=O)[C@H]2CCCN2)CC1.
What is the InChIKey of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is GSQGCHIIVHQAGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)20-10-17-18-14(20)12-5-8-19(9-6-12)15(21)13-4-3-7-16-13/h10-13,16H,3-9H2,1-2H3/t13-/m1/s1.
What are the key properties of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 95111210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).