1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one

C16H29N3O2 — CID 138808942

IUPAC1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one
SMILESCN1CC(CN2CCN(C3CCOCC3)CC2)CCC1=O
InChIInChI=1S/C16H29N3O2/c1-17-12-14(2-3-16(17)20)13-18-6-8-19(9-7-18)15-4-10-21-11-5-15/h14-15H,2-13H2,1H3
InChIKeyFKJHNUZRVFAXIT-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.65
Rot. Bonds3

About 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one

1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one (PubChem CID 138808942) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one
PubChem CID138808942
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one
SMILESCN1CC(CN2CCN(C3CCOCC3)CC2)CCC1=O
InChIInChI=1S/C16H29N3O2/c1-17-12-14(2-3-16(17)20)13-18-6-8-19(9-7-18)15-4-10-21-11-5-15/h14-15H,2-13H2,1H3
InChIKeyFKJHNUZRVFAXIT-UHFFFAOYSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
CID 138808378
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
1-methyl-5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]piperidin-2-one
CID 138383037
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002
(5R)-5-ethyl-1-methylpiperidin-2-one
CID 170386664
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686
5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one
CID 139599312
1-(oxan-4-yl)piperidin-4-one
CID 43610249
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389
1-methyl-5-(2-morpholin-4-ylethylamino)piperidin-2-one
CID 64655351
2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 138807413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one (CID 138808942) is 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one is CN1CC(CN2CCN(C3CCOCC3)CC2)CCC1=O.
What is the InChIKey of 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one?
The InChIKey is FKJHNUZRVFAXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-17-12-14(2-3-16(17)20)13-18-6-8-19(9-7-18)15-4-10-21-11-5-15/h14-15H,2-13H2,1H3.
What are the key properties of 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one?
1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 138808942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).