[(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H27N3O2 — CID 129492432

IUPAC[(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C17H27N3O2/c1-12(2)16-14(4-3-11-22-16)17(21)20-9-6-13(7-10-20)15-5-8-18-19-15/h5,8,12-14,16H,3-4,6-7,9-11H2,1-2H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyDEKNXFMIYZVUQH-GDBMZVCRSA-N
MW305.42 g/mol
LogP2.57
Rot. Bonds3

About [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 129492432) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID129492432
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C17H27N3O2/c1-12(2)16-14(4-3-11-22-16)17(21)20-9-6-13(7-10-20)15-5-8-18-19-15/h5,8,12-14,16H,3-4,6-7,9-11H2,1-2H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyDEKNXFMIYZVUQH-GDBMZVCRSA-N
XLogP2.57
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 129492432) is [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CC(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is DEKNXFMIYZVUQH-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)16-14(4-3-11-22-16)17(21)20-9-6-13(7-10-20)15-5-8-18-19-15/h5,8,12-14,16H,3-4,6-7,9-11H2,1-2H3,(H,18,19)/t14-,16-/m1/s1.
What are the key properties of [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129492432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).