[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone

C20H23NO2 — CID 26003226

IUPAC[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO2/c1-15-12-16(2)14-21(13-15)20(22)17-8-10-19(11-9-17)23-18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3/t15-,16+
InChIKeyPCUVVDPJOBYXRL-IYBDPMFKSA-N
MW309.41 g/mol
LogP4.60
Rot. Bonds3

About [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone

[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 26003226) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID26003226
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO2/c1-15-12-16(2)14-21(13-15)20(22)17-8-10-19(11-9-17)23-18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3/t15-,16+
InChIKeyPCUVVDPJOBYXRL-IYBDPMFKSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl] acetate
CID 690413
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone (CID 26003226) is [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is PCUVVDPJOBYXRL-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-12-16(2)14-21(13-15)20(22)17-8-10-19(11-9-17)23-18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3/t15-,16+.
What are the key properties of [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone?
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 26003226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).