1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one

C16H31N3O — CID 62210402

IUPAC1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESCC(C)CN1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(2)13-18-9-11-19(12-10-18)16(20)4-3-15-5-7-17-8-6-15/h14-15,17H,3-13H2,1-2H3
InChIKeyOCFBMXLFJFGVSR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one

1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one (PubChem CID 62210402) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
PubChem CID62210402
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESCC(C)CN1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(2)13-18-9-11-19(12-10-18)16(20)4-3-15-5-7-17-8-6-15/h14-15,17H,3-13H2,1-2H3
InChIKeyOCFBMXLFJFGVSR-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 62212540
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 114236984
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234
N-[1-(3-piperidin-4-ylpropanoyl)piperidin-4-yl]propanamide
CID 62210567
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 103356003
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one (CID 62210402) is 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one is CC(C)CN1CCN(C(=O)CCC2CCNCC2)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one?
The InChIKey is OCFBMXLFJFGVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)13-18-9-11-19(12-10-18)16(20)4-3-15-5-7-17-8-6-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one?
1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 62210402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).