piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone

C15H21NO2 — CID 116547957

IUPACpiperidin-3-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1CCCNC1
InChIInChI=1S/C15H21NO2/c1-11(2)18-14-8-4-3-7-13(14)15(17)12-6-5-9-16-10-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3
InChIKeyDOZMVWNGWLERDX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds4

About piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone

piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone (PubChem CID 116547957) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Namepiperidin-3-yl-(2-propan-2-yloxyphenyl)methanone
PubChem CID116547957
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namepiperidin-3-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1CCCNC1
InChIInChI=1S/C15H21NO2/c1-11(2)18-14-8-4-3-7-13(14)15(17)12-6-5-9-16-10-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3
InChIKeyDOZMVWNGWLERDX-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
CID 105119937
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
N'-(cyclohexanecarbonyl)-2-propan-2-yloxybenzohydrazide
CID 17045681
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone (CID 116547957) is piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)C1CCCNC1.
What is the InChIKey of piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is DOZMVWNGWLERDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)18-14-8-4-3-7-13(14)15(17)12-6-5-9-16-10-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3.
What are the key properties of piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone?
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116547957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).