3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one

C18H27NO2 — CID 116594401

IUPAC3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
SMILESCC(C)Oc1cccc(C(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C18H27NO2/c1-13(2)21-17-8-4-6-15(11-17)18(20)10-14(3)16-7-5-9-19-12-16/h4,6,8,11,13-14,16,19H,5,7,9-10,12H2,1-3H3
InChIKeyIWDXKIXRVQPZHI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.68
Rot. Bonds6

About 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one

3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one (PubChem CID 116594401) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
PubChem CID116594401
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
SMILESCC(C)Oc1cccc(C(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C18H27NO2/c1-13(2)21-17-8-4-6-15(11-17)18(20)10-14(3)16-7-5-9-19-12-16/h4,6,8,11,13-14,16,19H,5,7,9-10,12H2,1-3H3
InChIKeyIWDXKIXRVQPZHI-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
CID 116594349
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
N-methyl-N-piperidin-3-yl-3-propan-2-yloxybenzamide
CID 62920144
2-(1,4-diazepan-1-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 116565581
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
CID 116594477
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
1-(5-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594369
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one (CID 116594401) is 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one is CC(C)Oc1cccc(C(=O)CC(C)C2CCCNC2)c1.
What is the InChIKey of 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is IWDXKIXRVQPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)21-17-8-4-6-15(11-17)18(20)10-14(3)16-7-5-9-19-12-16/h4,6,8,11,13-14,16,19H,5,7,9-10,12H2,1-3H3.
What are the key properties of 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one?
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 116594401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).