1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane

C16H28N4O — CID 145286990

IUPAC1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane
SMILESCC.CC(C)C(=O)N1CCC(c2nncn2C2CC2)CC1
InChIInChI=1S/C14H22N4O.C2H6/c1-10(2)14(19)17-7-5-11(6-8-17)13-16-15-9-18(13)12-3-4-12;1-2/h9-12H,3-8H2,1-2H3;1-2H3
InChIKeyFLAZFVLMCCGVNS-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.00
Rot. Bonds3

About 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane (PubChem CID 145286990) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane.

Molecular Properties

Compound Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane
PubChem CID145286990
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane
SMILESCC.CC(C)C(=O)N1CCC(c2nncn2C2CC2)CC1
InChIInChI=1S/C14H22N4O.C2H6/c1-10(2)14(19)17-7-5-11(6-8-17)13-16-15-9-18(13)12-3-4-12;1-2/h9-12H,3-8H2,1-2H3;1-2H3
InChIKeyFLAZFVLMCCGVNS-UHFFFAOYSA-N
XLogP3.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane?
The IUPAC name of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane (CID 145286990) is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane.
What is the SMILES notation for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane?
The canonical SMILES for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane is CC.CC(C)C(=O)N1CCC(c2nncn2C2CC2)CC1.
What is the InChIKey of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane?
The InChIKey is FLAZFVLMCCGVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.C2H6/c1-10(2)14(19)17-7-5-11(6-8-17)13-16-15-9-18(13)12-3-4-12;1-2/h9-12H,3-8H2,1-2H3;1-2H3.
What are the key properties of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane?
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane has a molecular weight of 292.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane is sourced from PubChem (CID 145286990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).