N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide

C21H25BrN2O4S — CID 55720074

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C)Cc3ccc(Br)s3)CC2)c1
InChIInChI=1S/C21H25BrN2O4S/c1-23(13-18-4-5-19(22)29-18)20(25)14-6-8-24(9-7-14)21(26)15-10-16(27-2)12-17(11-15)28-3/h4-5,10-12,14H,6-9,13H2,1-3H3
InChIKeyAMRBMNYKASQVBA-UHFFFAOYSA-N
MW481.41 g/mol
LogP4.04
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55720074) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID55720074
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C)Cc3ccc(Br)s3)CC2)c1
InChIInChI=1S/C21H25BrN2O4S/c1-23(13-18-4-5-19(22)29-18)20(25)14-6-8-24(9-7-14)21(26)15-10-16(27-2)12-17(11-15)28-3/h4-5,10-12,14H,6-9,13H2,1-3H3
InChIKeyAMRBMNYKASQVBA-UHFFFAOYSA-N
XLogP4.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
N'-(5-bromothiophene-2-carbonyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carbohydrazide
CID 55719585
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35706852
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78896334
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 8624049
methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate
CID 55758858
1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide
CID 55756635
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
1-benzoyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110307099

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide (CID 55720074) is N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C)Cc3ccc(Br)s3)CC2)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is AMRBMNYKASQVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-23(13-18-4-5-19(22)29-18)20(25)14-6-8-24(9-7-14)21(26)15-10-16(27-2)12-17(11-15)28-3/h4-5,10-12,14H,6-9,13H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 481.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55720074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).