N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide

C28H30N2O3 — CID 56666212

IUPACN-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H30N2O3/c1-20(31)29-24-13-14-27(33-2)23(17-24)18-30-16-15-26(32)25(19-30)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,25,28H,15-16,18-19H2,1-2H3,(H,29,31)
InChIKeyKSPUFTHRXQCPKQ-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.88
Rot. Bonds7

About N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide

N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide (PubChem CID 56666212) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide
PubChem CID56666212
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H30N2O3/c1-20(31)29-24-13-14-27(33-2)23(17-24)18-30-16-15-26(32)25(19-30)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,25,28H,15-16,18-19H2,1-2H3,(H,29,31)
InChIKeyKSPUFTHRXQCPKQ-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide (CID 56666212) is N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide?
The InChIKey is KSPUFTHRXQCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-20(31)29-24-13-14-27(33-2)23(17-24)18-30-16-15-26(32)25(19-30)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,25,28H,15-16,18-19H2,1-2H3,(H,29,31).
What are the key properties of N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide?
N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 56666212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).