1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide

C51H54Br3N9O3 — CID 158174743

IUPAC1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(-c3ccccc3)cncc2-c2ccccc2)CC1.NC(=O)C1CCN(c2c(Br)cncc2-c2ccccc2)CC1.NC(=O)C1CCN(c2c(Br)cncc2Br)CC1
InChIInChI=1S/C23H23N3O.C17H18BrN3O.C11H13Br2N3O/c24-23(27)19-11-13-26(14-12-19)22-20(17-7-3-1-4-8-17)15-25-16-21(22)18-9-5-2-6-10-18;18-15-11-20-10-14(12-4-2-1-3-5-12)16(15)21-8-6-13(7-9-21)17(19)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h1-10,15-16,19H,11-14H2,(H2,24,27);1-5,10-11,13H,6-9H2,(H2,19,22);5-7H,1-4H2,(H2,14,17)
InChIKeyFXWGUUBFJPHBHP-UHFFFAOYSA-N
MW1080.76 g/mol
LogP9.64
Rot. Bonds9

About 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide

1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 158174743) has the molecular formula C51H54Br3N9O3 and a molecular weight of 1080.76 g/mol. Its IUPAC name is 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide
PubChem CID158174743
Molecular FormulaC51H54Br3N9O3
Molecular Weight1080.76 g/mol
Exact Mass1077.19
IUPAC Name1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(-c3ccccc3)cncc2-c2ccccc2)CC1.NC(=O)C1CCN(c2c(Br)cncc2-c2ccccc2)CC1.NC(=O)C1CCN(c2c(Br)cncc2Br)CC1
InChIInChI=1S/C23H23N3O.C17H18BrN3O.C11H13Br2N3O/c24-23(27)19-11-13-26(14-12-19)22-20(17-7-3-1-4-8-17)15-25-16-21(22)18-9-5-2-6-10-18;18-15-11-20-10-14(12-4-2-1-3-5-12)16(15)21-8-6-13(7-9-21)17(19)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h1-10,15-16,19H,11-14H2,(H2,24,27);1-5,10-11,13H,6-9H2,(H2,19,22);5-7H,1-4H2,(H2,14,17)
InChIKeyFXWGUUBFJPHBHP-UHFFFAOYSA-N
XLogP9.64
TPSA177.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.76
LogP ≤ 59.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[3-Bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;(4-methylphenyl)boronic acid
CID 158507166
1-(3-Bromo-4-pyridinyl)piperidine-4-carboxamide;(4-methylphenyl)boronic acid;1-[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide
CID 160840321
1-[3-Bromo-5-(2-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 45274283
1-(3-Bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide
CID 45275357
1-[3-Bromo-5-(4-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 67218652
1-[3,5-Bis(2-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide;1-[3-bromo-5-(2-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;(2-methylphenyl)boronic acid
CID 157848670
[4-[(2-Bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-piperidin-4-ylmethanone;[4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 158556813
1-(3-Bromo-4-pyridinyl)piperidine-4-carboxamide;cyclopropylboronic acid;1-(3-cyclopropyl-4-pyridinyl)piperidine-4-carboxamide
CID 158842674
1-(3-Bromo-4-pyridinyl)piperidine-4-carboxamide;phenylboronic acid;1-(3-phenyl-4-pyridinyl)piperidine-4-carboxamide
CID 160244959
1-(3-Bromo-4-pyridinyl)piperidine-4-carboxamide;(4-fluoro-3-methylphenyl)boronic acid;1-[3-(4-fluoro-3-methylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 160970040
3,5-Bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride
CID 162111468

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide (CID 158174743) is 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2c(-c3ccccc3)cncc2-c2ccccc2)CC1.NC(=O)C1CCN(c2c(Br)cncc2-c2ccccc2)CC1.NC(=O)C1CCN(c2c(Br)cncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is FXWGUUBFJPHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.C17H18BrN3O.C11H13Br2N3O/c24-23(27)19-11-13-26(14-12-19)22-20(17-7-3-1-4-8-17)15-25-16-21(22)18-9-5-2-6-10-18;18-15-11-20-10-14(12-4-2-1-3-5-12)16(15)21-8-6-13(7-9-21)17(19)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h1-10,15-16,19H,11-14H2,(H2,24,27);1-5,10-11,13H,6-9H2,(H2,19,22);5-7H,1-4H2,(H2,14,17).
What are the key properties of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide?
1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 1080.76 g/mol, XLogP of 9.64, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dibromo-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-diphenyl-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 158174743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).