[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C20H32N4O — CID 46992385

IUPAC[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)C1(C)C
InChIInChI=1S/C20H32N4O/c1-19(2)17(20(19,3)4)18(25)23-11-9-15(10-12-23)24-13-16(21-22-24)14-7-5-6-8-14/h13-15,17H,5-12H2,1-4H3
InChIKeyUTPBOGSRVYQCPU-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.78
Rot. Bonds3

About [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 46992385) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID46992385
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)C1(C)C
InChIInChI=1S/C20H32N4O/c1-19(2)17(20(19,3)4)18(25)23-11-9-15(10-12-23)24-13-16(21-22-24)14-7-5-6-8-14/h13-15,17H,5-12H2,1-4H3
InChIKeyUTPBOGSRVYQCPU-UHFFFAOYSA-N
XLogP3.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 46992385) is [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)C1(C)C.
What is the InChIKey of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is UTPBOGSRVYQCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-19(2)17(20(19,3)4)18(25)23-11-9-15(10-12-23)24-13-16(21-22-24)14-7-5-6-8-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 344.50 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 46992385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).