1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C24H28BrN3O2 — CID 55810021

IUPAC1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C3(c4ccc(Br)cc4)CCCC3)CC2)nc1
InChIInChI=1S/C24H28BrN3O2/c1-17-4-9-21(26-16-17)27-22(29)18-10-14-28(15-11-18)23(30)24(12-2-3-13-24)19-5-7-20(25)8-6-19/h4-9,16,18H,2-3,10-15H2,1H3,(H,26,27,29)
InChIKeyQNJIBDOARYHPAD-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.84
Rot. Bonds4

About 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55810021) has the molecular formula C24H28BrN3O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55810021
Molecular FormulaC24H28BrN3O2
Molecular Weight470.41 g/mol
Exact Mass469.14
IUPAC Name1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C3(c4ccc(Br)cc4)CCCC3)CC2)nc1
InChIInChI=1S/C24H28BrN3O2/c1-17-4-9-21(26-16-17)27-22(29)18-10-14-28(15-11-18)23(30)24(12-2-3-13-24)19-5-7-20(25)8-6-19/h4-9,16,18H,2-3,10-15H2,1H3,(H,26,27,29)
InChIKeyQNJIBDOARYHPAD-UHFFFAOYSA-N
XLogP4.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)cyclobutanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810106
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120939525
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 55993190
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55810021) is 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)C3(c4ccc(Br)cc4)CCCC3)CC2)nc1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is QNJIBDOARYHPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O2/c1-17-4-9-21(26-16-17)27-22(29)18-10-14-28(15-11-18)23(30)24(12-2-3-13-24)19-5-7-20(25)8-6-19/h4-9,16,18H,2-3,10-15H2,1H3,(H,26,27,29).
What are the key properties of 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 470.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55810021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).