3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one

C19H36N2O2 — CID 46991961

IUPAC3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCC(C)C1CCN(C(=O)CCN2CCCCCCC2)CC1
InChIInChI=1S/C19H36N2O2/c1-17(16-23-2)18-8-14-21(15-9-18)19(22)10-13-20-11-6-4-3-5-7-12-20/h17-18H,3-16H2,1-2H3
InChIKeyKFHIYMMGWLPLLB-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.16
Rot. Bonds6

About 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one

3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 46991961) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
PubChem CID46991961
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCC(C)C1CCN(C(=O)CCN2CCCCCCC2)CC1
InChIInChI=1S/C19H36N2O2/c1-17(16-23-2)18-8-14-21(15-9-18)19(22)10-13-20-11-6-4-3-5-7-12-20/h17-18H,3-16H2,1-2H3
InChIKeyKFHIYMMGWLPLLB-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 56881213
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane
CID 176985885
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone
CID 126807670
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-methoxypropan-2-ylcyclopentane
CID 88998786
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
N'-butan-2-yl-3-piperidin-1-ylpropanehydrazide
CID 4143849
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one (CID 46991961) is 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one is COCC(C)C1CCN(C(=O)CCN2CCCCCCC2)CC1.
What is the InChIKey of 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KFHIYMMGWLPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-17(16-23-2)18-8-14-21(15-9-18)19(22)10-13-20-11-6-4-3-5-7-12-20/h17-18H,3-16H2,1-2H3.
What are the key properties of 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 324.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46991961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).