N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide

C24H30N2O3 — CID 45207136

IUPACN-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCOc1c(C)cc(C(=O)C2CCCN(Cc3ccc(NC(C)=O)cc3)C2)cc1C
InChIInChI=1S/C24H30N2O3/c1-16-12-21(13-17(2)24(16)29-4)23(28)20-6-5-11-26(15-20)14-19-7-9-22(10-8-19)25-18(3)27/h7-10,12-13,20H,5-6,11,14-15H2,1-4H3,(H,25,27)
InChIKeyMEARVJWBQVXWIO-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.37
Rot. Bonds6

About N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 45207136) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID45207136
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCOc1c(C)cc(C(=O)C2CCCN(Cc3ccc(NC(C)=O)cc3)C2)cc1C
InChIInChI=1S/C24H30N2O3/c1-16-12-21(13-17(2)24(16)29-4)23(28)20-6-5-11-26(15-20)14-19-7-9-22(10-8-19)25-18(3)27/h7-10,12-13,20H,5-6,11,14-15H2,1-4H3,(H,25,27)
InChIKeyMEARVJWBQVXWIO-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42567289
N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26405826
1-[4-[[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42286949
N-[4-[[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26407394
[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45225604
[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 26399109
2-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 95556565
(4-methoxy-3,5-dimethylphenyl)-[1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 45219638
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 25286163
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42513467
[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45245584

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide (CID 45207136) is N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide is COc1c(C)cc(C(=O)C2CCCN(Cc3ccc(NC(C)=O)cc3)C2)cc1C.
What is the InChIKey of N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is MEARVJWBQVXWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-12-21(13-17(2)24(16)29-4)23(28)20-6-5-11-26(15-20)14-19-7-9-22(10-8-19)25-18(3)27/h7-10,12-13,20H,5-6,11,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 45207136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).