5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C26H26N2O4 — CID 25455356

IUPAC5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1C
InChIInChI=1S/C26H26N2O4/c1-17-15-23(25(30)27-18(17)2)26(31)28-14-6-7-20(16-28)24(29)19-10-12-22(13-11-19)32-21-8-4-3-5-9-21/h3-5,8-13,15,20H,6-7,14,16H2,1-2H3,(H,27,30)/t20-/m0/s1
InChIKeyDPCKMYBPLRRSMS-FQEVSTJZSA-N
MW430.50 g/mol
LogP4.52
Rot. Bonds5

About 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one

5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 25455356) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID25455356
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1C
InChIInChI=1S/C26H26N2O4/c1-17-15-23(25(30)27-18(17)2)26(31)28-14-6-7-20(16-28)24(29)19-10-12-22(13-11-19)32-21-8-4-3-5-9-21/h3-5,8-13,15,20H,6-7,14,16H2,1-2H3,(H,27,30)/t20-/m0/s1
InChIKeyDPCKMYBPLRRSMS-FQEVSTJZSA-N
XLogP4.52
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-[(3S)-3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25305199
5-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95728552
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 42147812
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
3-[3-(4-phenylbenzoyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 45233480
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 45218026
3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 70752830

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 25455356) is 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DPCKMYBPLRRSMS-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-17-15-23(25(30)27-18(17)2)26(31)28-14-6-7-20(16-28)24(29)19-10-12-22(13-11-19)32-21-8-4-3-5-9-21/h3-5,8-13,15,20H,6-7,14,16H2,1-2H3,(H,27,30)/t20-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 430.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 25455356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).