N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide

C24H25BrN2O2 — CID 10789834

IUPACN-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)15-21(23)24(28)26-18-11-13-27(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,28)
InChIKeySUQIESLQCIUEKX-UHFFFAOYSA-N
MW453.38 g/mol
LogP5.01
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide (PubChem CID 10789834) has the molecular formula C24H25BrN2O2 and a molecular weight of 453.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
PubChem CID10789834
Molecular FormulaC24H25BrN2O2
Molecular Weight453.38 g/mol
Exact Mass452.11
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)15-21(23)24(28)26-18-11-13-27(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,28)
InChIKeySUQIESLQCIUEKX-UHFFFAOYSA-N
XLogP5.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 101346624
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
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N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
CID 44533094
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
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N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide (CID 10789834) is N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide?
The InChIKey is SUQIESLQCIUEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)15-21(23)24(28)26-18-11-13-27(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide has a molecular weight of 453.38 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 10789834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).