1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one

C18H32N2O2 — CID 123680259

IUPAC1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OCCC2CC2C2CCNCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-2-18(21)20-10-5-16(6-11-20)22-12-7-15-13-17(15)14-3-8-19-9-4-14/h14-17,19H,2-13H2,1H3
InChIKeyIPORWVFINWUONM-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.43
Rot. Bonds6

About 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one

1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one (PubChem CID 123680259) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one
PubChem CID123680259
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OCCC2CC2C2CCNCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-2-18(21)20-10-5-16(6-11-20)22-12-7-15-13-17(15)14-3-8-19-9-4-14/h14-17,19H,2-13H2,1H3
InChIKeyIPORWVFINWUONM-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-[4-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethoxy]piperidin-1-yl]butan-1-one
CID 89484398
4,4,4-Trifluoro-1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]butan-1-one
CID 123955193
2-Methyl-1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one
CID 123671696
2,2-Dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate
CID 123941695
2-Methyl-1-[4-[2-[2-[1-(methylamino)pentan-3-yl]cyclopropyl]ethoxy]piperidin-1-yl]propan-1-one
CID 145554419
methane;1-[4-[2-[(1S,2R)-2-[1-(methylamino)pentan-3-yl]cyclopropyl]ethoxy]piperidin-1-yl]propan-1-one
CID 145554422
1-[4-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethoxy]piperidin-1-yl]propan-1-one
CID 145554433
2-(2-Cyclopropyloxypropyl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperidine
CID 169823256
N-[(2R*,4R*,6S*)-2-cyclohexyl-6-(1-isopropylpiperidin-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50968622
1-[4-[(2-Ethyl-2-methyloxan-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 64101977
2-Methyl-1-[4-[(2-propan-2-yloxan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 64102379
Cyclopropyl-[4-[(2-ethyl-2-methyloxan-4-yl)amino]piperidin-1-yl]methanone
CID 64102381

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one (CID 123680259) is 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(OCCC2CC2C2CCNCC2)CC1.
What is the InChIKey of 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one?
The InChIKey is IPORWVFINWUONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-2-18(21)20-10-5-16(6-11-20)22-12-7-15-13-17(15)14-3-8-19-9-4-14/h14-17,19H,2-13H2,1H3.
What are the key properties of 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one?
1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one has a molecular weight of 308.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 123680259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).