1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one

C14H28N2O2 — CID 65053200

IUPAC1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCOCC(C(C)C)N1CCCC(NC(C)C)C1=O
InChIInChI=1S/C14H28N2O2/c1-10(2)13(9-18-5)16-8-6-7-12(14(16)17)15-11(3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyBKOXCKRBDWTLKX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one

1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 65053200) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
PubChem CID65053200
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCOCC(C(C)C)N1CCCC(NC(C)C)C1=O
InChIInChI=1S/C14H28N2O2/c1-10(2)13(9-18-5)16-8-6-7-12(14(16)17)15-11(3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyBKOXCKRBDWTLKX-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one (CID 65053200) is 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one is COCC(C(C)C)N1CCCC(NC(C)C)C1=O.
What is the InChIKey of 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is BKOXCKRBDWTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)13(9-18-5)16-8-6-7-12(14(16)17)15-11(3)4/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 65053200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).