N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide

C28H31N3O3 — CID 55951097

IUPACN-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C28H31N3O3/c1-34-26-10-6-5-9-24(26)20-31-17-15-25(16-18-31)30-27(32)19-29-28(33)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,25H,15-20H2,1H3,(H,29,33)(H,30,32)
InChIKeyRAGGUAOMQOJJMN-UHFFFAOYSA-N
MW457.57 g/mol
LogP3.87
Rot. Bonds8

About N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 55951097) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID55951097
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C28H31N3O3/c1-34-26-10-6-5-9-24(26)20-31-17-15-25(16-18-31)30-27(32)19-29-28(33)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,25H,15-20H2,1H3,(H,29,33)(H,30,32)
InChIKeyRAGGUAOMQOJJMN-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide (CID 55951097) is N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide is COc1ccccc1CN1CCC(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is RAGGUAOMQOJJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-34-26-10-6-5-9-24(26)20-31-17-15-25(16-18-31)30-27(32)19-29-28(33)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,25H,15-20H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 55951097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).