1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

C24H30BrN3O3 — CID 27772471

IUPAC1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)N(C)C)cc1
InChIInChI=1S/C24H30BrN3O3/c1-27(2)22(17-6-10-21(31-3)11-7-17)16-26-23(29)18-12-14-28(15-13-18)24(30)19-4-8-20(25)9-5-19/h4-11,18,22H,12-16H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeyCOPWKICMUKSVSE-QFIPXVFZSA-N
MW488.43 g/mol
LogP3.73
Rot. Bonds7

About 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 27772471) has the molecular formula C24H30BrN3O3 and a molecular weight of 488.43 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID27772471
Molecular FormulaC24H30BrN3O3
Molecular Weight488.43 g/mol
Exact Mass487.15
IUPAC Name1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)N(C)C)cc1
InChIInChI=1S/C24H30BrN3O3/c1-27(2)22(17-6-10-21(31-3)11-7-17)16-26-23(29)18-12-14-28(15-13-18)24(30)19-4-8-20(25)9-5-19/h4-11,18,22H,12-16H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeyCOPWKICMUKSVSE-QFIPXVFZSA-N
XLogP3.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26011918
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25409009
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 27772471) is 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)N(C)C)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is COPWKICMUKSVSE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30BrN3O3/c1-27(2)22(17-6-10-21(31-3)11-7-17)16-26-23(29)18-12-14-28(15-13-18)24(30)19-4-8-20(25)9-5-19/h4-11,18,22H,12-16H2,1-3H3,(H,26,29)/t22-/m0/s1.
What are the key properties of 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 488.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 27772471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).