2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

C17H30N2O3 — CID 166106552

IUPAC2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O3/c1-4-16(20)18-9-5-14(6-10-18)22-15-7-11-19(12-8-15)17(21)13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyDVHLKTBVZJIOOA-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.05
Rot. Bonds4

About 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 166106552) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID166106552
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O3/c1-4-16(20)18-9-5-14(6-10-18)22-15-7-11-19(12-8-15)17(21)13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyDVHLKTBVZJIOOA-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (CID 166106552) is 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is DVHLKTBVZJIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-4-16(20)18-9-5-14(6-10-18)22-15-7-11-19(12-8-15)17(21)13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 310.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 166106552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).