[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C20H26N4O2 — CID 129484052

IUPAC[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCC(C)n1cc([C@@]2(O)CCCN(C(=O)C3(c4ccccc4)CC3)C2)nn1
InChIInChI=1S/C20H26N4O2/c1-15(2)24-13-17(21-22-24)20(26)9-6-12-23(14-20)18(25)19(10-11-19)16-7-4-3-5-8-16/h3-5,7-8,13,15,26H,6,9-12,14H2,1-2H3/t20-/m1/s1
InChIKeyYQNWWQOKFISEOA-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.40
Rot. Bonds4

About [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 129484052) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID129484052
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCC(C)n1cc([C@@]2(O)CCCN(C(=O)C3(c4ccccc4)CC3)C2)nn1
InChIInChI=1S/C20H26N4O2/c1-15(2)24-13-17(21-22-24)20(26)9-6-12-23(14-20)18(25)19(10-11-19)16-7-4-3-5-8-16/h3-5,7-8,13,15,26H,6,9-12,14H2,1-2H3/t20-/m1/s1
InChIKeyYQNWWQOKFISEOA-HXUWFJFHSA-N
XLogP2.40
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 129484052) is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is CC(C)n1cc([C@@]2(O)CCCN(C(=O)C3(c4ccccc4)CC3)C2)nn1.
What is the InChIKey of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is YQNWWQOKFISEOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)24-13-17(21-22-24)20(26)9-6-12-23(14-20)18(25)19(10-11-19)16-7-4-3-5-8-16/h3-5,7-8,13,15,26H,6,9-12,14H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 129484052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).