3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

C16H32N2O2 — CID 50954102

IUPAC3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOC(C)(C)CC(C)NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H32N2O2/c1-13-7-10-18(11-8-13)15(19)6-9-17-14(2)12-16(3,4)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyPXFDEPXJOPDNBX-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds7

About 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 50954102) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID50954102
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOC(C)(C)CC(C)NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H32N2O2/c1-13-7-10-18(11-8-13)15(19)6-9-17-14(2)12-16(3,4)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyPXFDEPXJOPDNBX-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 50954102) is 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is COC(C)(C)CC(C)NCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is PXFDEPXJOPDNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13-7-10-18(11-8-13)15(19)6-9-17-14(2)12-16(3,4)20-5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 284.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-4-methylpentan-2-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 50954102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).