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

C15H24N4O — CID 110203890

IUPACcyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCn1cnnc1CC1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H24N4O/c1-18-11-16-17-14(18)9-12-5-4-8-19(10-12)15(20)13-6-2-3-7-13/h11-13H,2-10H2,1H3
InChIKeyBHNYFJDKPIAEJN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds3

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

cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 110203890) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID110203890
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Namecyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCn1cnnc1CC1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H24N4O/c1-18-11-16-17-14(18)9-12-5-4-8-19(10-12)15(20)13-6-2-3-7-13/h11-13H,2-10H2,1H3
InChIKeyBHNYFJDKPIAEJN-UHFFFAOYSA-N
XLogP1.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 110203890) is cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is Cn1cnnc1CC1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is BHNYFJDKPIAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-11-16-17-14(18)9-12-5-4-8-19(10-12)15(20)13-6-2-3-7-13/h11-13H,2-10H2,1H3.
What are the key properties of cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110203890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).