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

C19H37N3O — CID 176581054

IUPAC1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCN(CC2CCN(C(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C19H37N3O/c1-6-18(23)15-21-11-9-20(10-12-21)14-17-7-8-22(16(2)3)19(4,5)13-17/h16-17H,6-15H2,1-5H3
InChIKeyVOHKDWHLGDOCSV-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.48
Rot. Bonds6

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

1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one (PubChem CID 176581054) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one
PubChem CID176581054
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCN(CC2CCN(C(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C19H37N3O/c1-6-18(23)15-21-11-9-20(10-12-21)14-17-7-8-22(16(2)3)19(4,5)13-17/h16-17H,6-15H2,1-5H3
InChIKeyVOHKDWHLGDOCSV-UHFFFAOYSA-N
XLogP2.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one with MolForge

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Related Compounds

1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
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-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
CID 178000182
1-[4-(bromomethyl)piperidin-1-yl]butan-2-one
CID 91239007
1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one
CID 170177648
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
3-methyl-1-[4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]piperidin-1-yl]pentan-2-one
CID 176575579
4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
CID 177119210
2-[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 65458095
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62824701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one?
The IUPAC name of 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one (CID 176581054) is 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one.
What is the SMILES notation for 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one?
The canonical SMILES for 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one is CCC(=O)CN1CCN(CC2CCN(C(C)C)C(C)(C)C2)CC1.
What is the InChIKey of 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one?
The InChIKey is VOHKDWHLGDOCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-6-18(23)15-21-11-9-20(10-12-21)14-17-7-8-22(16(2)3)19(4,5)13-17/h16-17H,6-15H2,1-5H3.
What are the key properties of 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one?
1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one has a molecular weight of 323.53 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one is sourced from PubChem (CID 176581054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).