N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide

C27H28N2O2 — CID 46333935

IUPACN-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N2CCCC(c3cccc(C(=O)NCc4ccccc4)c3)C2)cc1
InChIInChI=1S/C27H28N2O2/c1-20-12-14-22(15-13-20)27(31)29-16-6-11-25(19-29)23-9-5-10-24(17-23)26(30)28-18-21-7-3-2-4-8-21/h2-5,7-10,12-15,17,25H,6,11,16,18-19H2,1H3,(H,28,30)
InChIKeyCSTSJOSHJIRNBP-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.94
Rot. Bonds5

About N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide

N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide (PubChem CID 46333935) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
PubChem CID46333935
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N2CCCC(c3cccc(C(=O)NCc4ccccc4)c3)C2)cc1
InChIInChI=1S/C27H28N2O2/c1-20-12-14-22(15-13-20)27(31)29-16-6-11-25(19-29)23-9-5-10-24(17-23)26(30)28-18-21-7-3-2-4-8-21/h2-5,7-10,12-15,17,25H,6,11,16,18-19H2,1H3,(H,28,30)
InChIKeyCSTSJOSHJIRNBP-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The IUPAC name of N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide (CID 46333935) is N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide is Cc1ccc(C(=O)N2CCCC(c3cccc(C(=O)NCc4ccccc4)c3)C2)cc1.
What is the InChIKey of N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
The InChIKey is CSTSJOSHJIRNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20-12-14-22(15-13-20)27(31)29-16-6-11-25(19-29)23-9-5-10-24(17-23)26(30)28-18-21-7-3-2-4-8-21/h2-5,7-10,12-15,17,25H,6,11,16,18-19H2,1H3,(H,28,30).
What are the key properties of N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide?
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 46333935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).