1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

C22H25BrN2O5 — CID 26701571

IUPAC1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H25BrN2O5/c1-28-18-12-17(13-19(29-2)20(18)30-3)24-21(26)14-8-10-25(11-9-14)22(27)15-4-6-16(23)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,26)
InChIKeyIXFFJOHJMIVURH-UHFFFAOYSA-N
MW477.36 g/mol
LogP3.97
Rot. Bonds6

About 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 26701571) has the molecular formula C22H25BrN2O5 and a molecular weight of 477.36 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
PubChem CID26701571
Molecular FormulaC22H25BrN2O5
Molecular Weight477.36 g/mol
Exact Mass476.09
IUPAC Name1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H25BrN2O5/c1-28-18-12-17(13-19(29-2)20(18)30-3)24-21(26)14-8-10-25(11-9-14)22(27)15-4-6-16(23)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,26)
InChIKeyIXFFJOHJMIVURH-UHFFFAOYSA-N
XLogP3.97
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126029026
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126030935
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid
CID 17494724
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide (CID 26701571) is 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is IXFFJOHJMIVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O5/c1-28-18-12-17(13-19(29-2)20(18)30-3)24-21(26)14-8-10-25(11-9-14)22(27)15-4-6-16(23)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 477.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26701571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).