1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one

C17H33N3O — CID 178000182

IUPAC1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCN(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-4-17(21)13-18-9-11-20(12-10-18)14-19-7-5-16(6-8-19)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyXXTLDKPQRCSZCO-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.91
Rot. Bonds6

About 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one

1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one (PubChem CID 178000182) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
PubChem CID178000182
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCN(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-4-17(21)13-18-9-11-20(12-10-18)14-19-7-5-16(6-8-19)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyXXTLDKPQRCSZCO-UHFFFAOYSA-N
XLogP1.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one
CID 178000127
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
1-[4-(bromomethyl)piperidin-1-yl]butan-2-one
CID 91239007
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
2-[(4-propan-2-ylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 103498201
1-[4-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]piperidin-1-yl]butan-2-one;ethane
CID 176576859
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 176582083
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one
CID 176581054

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one?
The IUPAC name of 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one (CID 178000182) is 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one.
What is the SMILES notation for 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one?
The canonical SMILES for 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one is CCC(=O)CN1CCN(CN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one?
The InChIKey is XXTLDKPQRCSZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-17(21)13-18-9-11-20(12-10-18)14-19-7-5-16(6-8-19)15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one?
1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one has a molecular weight of 295.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one is sourced from PubChem (CID 178000182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).