1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one

C16H30N2O2 — CID 103991051

IUPAC1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
SMILESCCCC1CC(NCCC(=O)N2CCCCC2)CCO1
InChIInChI=1S/C16H30N2O2/c1-2-6-15-13-14(8-12-20-15)17-9-7-16(19)18-10-4-3-5-11-18/h14-15,17H,2-13H2,1H3
InChIKeyDGSKSAGCOBNKNE-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.33
Rot. Bonds6

About 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one

1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one (PubChem CID 103991051) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
PubChem CID103991051
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
SMILESCCCC1CC(NCCC(=O)N2CCCCC2)CCO1
InChIInChI=1S/C16H30N2O2/c1-2-6-15-13-14(8-12-20-15)17-9-7-16(19)18-10-4-3-5-11-18/h14-15,17H,2-13H2,1H3
InChIKeyDGSKSAGCOBNKNE-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one with MolForge

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Related Compounds

3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683
3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
CID 107428755
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine
CID 103991074
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
2,6-dimethyl-N-(2-propyloxan-4-yl)piperidin-1-amine
CID 83007696

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one (CID 103991051) is 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one is CCCC1CC(NCCC(=O)N2CCCCC2)CCO1.
What is the InChIKey of 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one?
The InChIKey is DGSKSAGCOBNKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-6-15-13-14(8-12-20-15)17-9-7-16(19)18-10-4-3-5-11-18/h14-15,17H,2-13H2,1H3.
What are the key properties of 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one?
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one is sourced from PubChem (CID 103991051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).