(5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C15H25N5O — CID 118763989

IUPAC(5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1n[nH]nc1C(=O)N1CCC(C(C)N2CCCC2)CC1
InChIInChI=1S/C15H25N5O/c1-11-14(17-18-16-11)15(21)20-9-5-13(6-10-20)12(2)19-7-3-4-8-19/h12-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyRUOAAJGYEXJXPJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.45
Rot. Bonds3

About (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

(5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 118763989) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID118763989
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1n[nH]nc1C(=O)N1CCC(C(C)N2CCCC2)CC1
InChIInChI=1S/C15H25N5O/c1-11-14(17-18-16-11)15(21)20-9-5-13(6-10-20)12(2)19-7-3-4-8-19/h12-13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyRUOAAJGYEXJXPJ-UHFFFAOYSA-N
XLogP1.45
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 118763989) is (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is Cc1n[nH]nc1C(=O)N1CCC(C(C)N2CCCC2)CC1.
What is the InChIKey of (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is RUOAAJGYEXJXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-14(17-18-16-11)15(21)20-9-5-13(6-10-20)12(2)19-7-3-4-8-19/h12-13H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
(5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2H-triazol-4-yl)-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118763989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).