3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

C15H28N2O2 — CID 110284682

IUPAC3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)11-15(18)17-5-3-14(4-6-17)12-16-7-9-19-10-8-16/h13-14H,3-12H2,1-2H3
InChIKeyISXPTDXTPMCEAH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.60
Rot. Bonds4

About 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 110284682) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID110284682
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)11-15(18)17-5-3-14(4-6-17)12-16-7-9-19-10-8-16/h13-14H,3-12H2,1-2H3
InChIKeyISXPTDXTPMCEAH-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 81087000
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 87018945
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (CID 110284682) is 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is ISXPTDXTPMCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)11-15(18)17-5-3-14(4-6-17)12-16-7-9-19-10-8-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110284682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).