N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide

C31H34N2O3 — CID 55723196

IUPACN-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C31H34N2O3/c1-21(2)19-23-10-13-24(14-11-23)29(34)25-15-17-33(18-16-25)31(36)27-12-9-22(3)28(20-27)32-30(35)26-7-5-4-6-8-26/h4-14,20-21,25H,15-19H2,1-3H3,(H,32,35)
InChIKeyZDTARZLPBCVPEB-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.18
Rot. Bonds7

About N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide

N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide (PubChem CID 55723196) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
PubChem CID55723196
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC NameN-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C31H34N2O3/c1-21(2)19-23-10-13-24(14-11-23)29(34)25-15-17-33(18-16-25)31(36)27-12-9-22(3)28(20-27)32-30(35)26-7-5-4-6-8-26/h4-14,20-21,25H,15-19H2,1-3H3,(H,32,35)
InChIKeyZDTARZLPBCVPEB-UHFFFAOYSA-N
XLogP6.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 120623759
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
CID 97240619
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide (CID 55723196) is N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide is Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide?
The InChIKey is ZDTARZLPBCVPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c1-21(2)19-23-10-13-24(14-11-23)29(34)25-15-17-33(18-16-25)31(36)27-12-9-22(3)28(20-27)32-30(35)26-7-5-4-6-8-26/h4-14,20-21,25H,15-19H2,1-3H3,(H,32,35).
What are the key properties of N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide?
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide has a molecular weight of 482.62 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 55723196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).