[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone

C17H22N4O2 — CID 28735632

IUPAC[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(16-6-3-11-23-16)20-9-7-14(8-10-20)21-12-15(18-19-21)13-4-1-2-5-13/h3,6,11-14H,1-2,4-5,7-10H2
InChIKeyDXOUYHJGQQYHRP-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.01
Rot. Bonds3

About [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone

[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 28735632) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID28735632
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(16-6-3-11-23-16)20-9-7-14(8-10-20)21-12-15(18-19-21)13-4-1-2-5-13/h3,6,11-14H,1-2,4-5,7-10H2
InChIKeyDXOUYHJGQQYHRP-UHFFFAOYSA-N
XLogP3.01
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 28735632) is [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DXOUYHJGQQYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(16-6-3-11-23-16)20-9-7-14(8-10-20)21-12-15(18-19-21)13-4-1-2-5-13/h3,6,11-14H,1-2,4-5,7-10H2.
What are the key properties of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 28735632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).