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

C15H29N3O — CID 1121087

IUPAC3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3
InChIKeyPZYXHDRJEYUFHW-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.27
Rot. Bonds3

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

3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 1121087) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
PubChem CID1121087
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3
InChIKeyPZYXHDRJEYUFHW-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one (CID 1121087) is 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is PZYXHDRJEYUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one?
3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 1121087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).