1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane

C19H39N3O — CID 176985885

IUPAC1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane
SMILESCC.CCC(C)C1CCN(C(=O)CCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O.C2H6/c1-4-15(2)16-5-9-20(10-6-16)17(21)7-8-19-13-11-18(3)12-14-19;1-2/h15-16H,4-14H2,1-3H3;1-2H3
InChIKeyWMZRVVDZGALXLZ-UHFFFAOYSA-N
MW325.54 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane

1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane (PubChem CID 176985885) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane
PubChem CID176985885
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane
SMILESCC.CCC(C)C1CCN(C(=O)CCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O.C2H6/c1-4-15(2)16-5-9-20(10-6-16)17(21)7-8-19-13-11-18(3)12-14-19;1-2/h15-16H,4-14H2,1-3H3;1-2H3
InChIKeyWMZRVVDZGALXLZ-UHFFFAOYSA-N
XLogP2.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 46991961
3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 174181009
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 164715646
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 119145626
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane?
The IUPAC name of 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane (CID 176985885) is 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane?
The canonical SMILES for 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane is CC.CCC(C)C1CCN(C(=O)CCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane?
The InChIKey is WMZRVVDZGALXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.C2H6/c1-4-15(2)16-5-9-20(10-6-16)17(21)7-8-19-13-11-18(3)12-14-19;1-2/h15-16H,4-14H2,1-3H3;1-2H3.
What are the key properties of 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane?
1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane has a molecular weight of 325.54 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane is sourced from PubChem (CID 176985885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).