2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone

C16H30N2O2 — CID 172604161

IUPAC2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)17-8-4-14(5-9-17)15-6-10-18(11-7-15)16(19)12-20-3/h13-15H,4-12H2,1-3H3
InChIKeyRNNAMIXFUGBZPQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.99
Rot. Bonds4

About 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone

2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 172604161) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
PubChem CID172604161
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)17-8-4-14(5-9-17)15-6-10-18(11-7-15)16(19)12-20-3/h13-15H,4-12H2,1-3H3
InChIKeyRNNAMIXFUGBZPQ-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone (CID 172604161) is 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is RNNAMIXFUGBZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)17-8-4-14(5-9-17)15-6-10-18(11-7-15)16(19)12-20-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 172604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).