N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide

C29H33N3O3 — CID 46037909

IUPACN-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C29H33N3O3/c1-21-9-3-5-11-24(21)29(34)31-23-16-19-32(20-17-23)26-13-7-6-12-25(26)28(33)30-18-15-22-10-4-8-14-27(22)35-2/h3-14,23H,15-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyPWFMGFZKDIKOKS-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.37
Rot. Bonds8

About N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 46037909) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID46037909
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C29H33N3O3/c1-21-9-3-5-11-24(21)29(34)31-23-16-19-32(20-17-23)26-13-7-6-12-25(26)28(33)30-18-15-22-10-4-8-14-27(22)35-2/h3-14,23H,15-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyPWFMGFZKDIKOKS-UHFFFAOYSA-N
XLogP4.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
CID 46037912
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037903
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037507
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide (CID 46037909) is N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide is COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is PWFMGFZKDIKOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-21-9-3-5-11-24(21)29(34)31-23-16-19-32(20-17-23)26-13-7-6-12-25(26)28(33)30-18-15-22-10-4-8-14-27(22)35-2/h3-14,23H,15-20H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 471.60 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 46037909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).