N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide

C28H30N2O4 — CID 112825312

IUPACN-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC)c(Cc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-25-11-8-21(9-12-25)27(31)22-14-16-30(17-15-22)28(32)29-24-10-13-26(34-2)23(19-24)18-20-6-4-3-5-7-20/h3-13,19,22H,14-18H2,1-2H3,(H,29,32)
InChIKeyPEYFSBWSRVLCGY-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.42
Rot. Bonds7

About N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide

N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide (PubChem CID 112825312) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
PubChem CID112825312
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC)c(Cc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-25-11-8-21(9-12-25)27(31)22-14-16-30(17-15-22)28(32)29-24-10-13-26(34-2)23(19-24)18-20-6-4-3-5-7-20/h3-13,19,22H,14-18H2,1-2H3,(H,29,32)
InChIKeyPEYFSBWSRVLCGY-UHFFFAOYSA-N
XLogP5.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824546
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 119696247
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 55909786
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 42693679

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide (CID 112825312) is N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC)c(Cc4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The InChIKey is PEYFSBWSRVLCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-25-11-8-21(9-12-25)27(31)22-14-16-30(17-15-22)28(32)29-24-10-13-26(34-2)23(19-24)18-20-6-4-3-5-7-20/h3-13,19,22H,14-18H2,1-2H3,(H,29,32).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 112825312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).