3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

C15H28N2O2 — CID 115905128

IUPAC3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCOC2CCNCC2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)13-5-9-17(11-13)15(18)6-10-19-14-3-7-16-8-4-14/h12-14,16H,3-11H2,1-2H3
InChIKeyUKZRJRVCWZZYRD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds5

About 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 115905128) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID115905128
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCOC2CCNCC2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)13-5-9-17(11-13)15(18)6-10-19-14-3-7-16-8-4-14/h12-14,16H,3-11H2,1-2H3
InChIKeyUKZRJRVCWZZYRD-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-piperidin-4-yloxypropan-1-one
CID 63875294
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
CID 79674139
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
CID 63905461
2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
N-butan-2-yl-N-methyl-3-piperidin-4-yloxypropanamide
CID 63875957

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (CID 115905128) is 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)CCOC2CCNCC2)C1.
What is the InChIKey of 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is UKZRJRVCWZZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)13-5-9-17(11-13)15(18)6-10-19-14-3-7-16-8-4-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 115905128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).