(4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C14H23N5O — CID 63714488

IUPAC(4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC1CNCC1C(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C14H23N5O/c1-10-6-15-7-12(10)14(20)19-5-3-4-11(8-19)13-17-16-9-18(13)2/h9-12,15H,3-8H2,1-2H3
InChIKeyWQWXXQHDEBIKEW-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.38
Rot. Bonds2

About (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 63714488) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID63714488
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC1CNCC1C(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C14H23N5O/c1-10-6-15-7-12(10)14(20)19-5-3-4-11(8-19)13-17-16-9-18(13)2/h9-12,15H,3-8H2,1-2H3
InChIKeyWQWXXQHDEBIKEW-UHFFFAOYSA-N
XLogP0.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 63714488) is (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CC1CNCC1C(=O)N1CCCC(c2nncn2C)C1.
What is the InChIKey of (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is WQWXXQHDEBIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-6-15-7-12(10)14(20)19-5-3-4-11(8-19)13-17-16-9-18(13)2/h9-12,15H,3-8H2,1-2H3.
What are the key properties of (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 63714488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).