N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C27H34N2O4 — CID 134055780

IUPACN-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C(CC(C)C)NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C27H34N2O4/c1-18(2)17-24(28-26(31)23-8-6-5-7-19(23)3)27(32)29-15-13-21(14-16-29)25(30)20-9-11-22(33-4)12-10-20/h5-12,18,21,24H,13-17H2,1-4H3,(H,28,31)
InChIKeyUYDMCGGUGUENRQ-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.27
Rot. Bonds8

About N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 134055780) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID134055780
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC NameN-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C(CC(C)C)NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C27H34N2O4/c1-18(2)17-24(28-26(31)23-8-6-5-7-19(23)3)27(32)29-15-13-21(14-16-29)25(30)20-9-11-22(33-4)12-10-20/h5-12,18,21,24H,13-17H2,1-4H3,(H,28,31)
InChIKeyUYDMCGGUGUENRQ-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46570379
2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25474499
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 24682927
N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013
N-[1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylbenzamide
CID 18540008
4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633
3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351350
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 134055780) is N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is COc1ccc(C(=O)C2CCN(C(=O)C(CC(C)C)NC(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is UYDMCGGUGUENRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-18(2)17-24(28-26(31)23-8-6-5-7-19(23)3)27(32)29-15-13-21(14-16-29)25(30)20-9-11-22(33-4)12-10-20/h5-12,18,21,24H,13-17H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 450.58 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 134055780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).