piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone

C11H18N4O — CID 84735387

IUPACpiperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone
SMILESCC(C)n1nncc1C(=O)C1CCCNC1
InChIInChI=1S/C11H18N4O/c1-8(2)15-10(7-13-14-15)11(16)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyPCYJXFZFLGIWPQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds3

About piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone

piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone (PubChem CID 84735387) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone
PubChem CID84735387
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Namepiperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone
SMILESCC(C)n1nncc1C(=O)C1CCCNC1
InChIInChI=1S/C11H18N4O/c1-8(2)15-10(7-13-14-15)11(16)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyPCYJXFZFLGIWPQ-UHFFFAOYSA-N
XLogP1.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone?
The IUPAC name of piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone (CID 84735387) is piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone.
What is the SMILES notation for piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone?
The canonical SMILES for piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone is CC(C)n1nncc1C(=O)C1CCCNC1.
What is the InChIKey of piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone?
The InChIKey is PCYJXFZFLGIWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)15-10(7-13-14-15)11(16)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone?
piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-(3-propan-2-yltriazol-4-yl)methanone is sourced from PubChem (CID 84735387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).