[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

C22H32N2O2 — CID 129377323

IUPAC[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C22H32N2O2/c1-15-7-5-8-16(2)23(15)21(25)19-11-13-20(14-12-19)22(26)24-17(3)9-6-10-18(24)4/h11-18H,5-10H2,1-4H3/t15-,16-,17-,18+/m1/s1
InChIKeyYEFFYMICJWFTIL-TVFCKZIOSA-N
MW356.51 g/mol
LogP4.49
Rot. Bonds2

About [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 129377323) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID129377323
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C22H32N2O2/c1-15-7-5-8-16(2)23(15)21(25)19-11-13-20(14-12-19)22(26)24-17(3)9-6-10-18(24)4/h11-18H,5-10H2,1-4H3/t15-,16-,17-,18+/m1/s1
InChIKeyYEFFYMICJWFTIL-TVFCKZIOSA-N
XLogP4.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6932219
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
CID 7379850
[4-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968290
(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628294
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone
CID 60816372
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113329918
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1-methylpyridin-1-ium-3-yl)methanone iodide
CID 139055719
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 129377323) is [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1.
What is the InChIKey of [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is YEFFYMICJWFTIL-TVFCKZIOSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15-7-5-8-16(2)23(15)21(25)19-11-13-20(14-12-19)22(26)24-17(3)9-6-10-18(24)4/h11-18H,5-10H2,1-4H3/t15-,16-,17-,18+/m1/s1.
What are the key properties of [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 129377323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).